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Revision 689 - Directory Listing - [select for diffs]
Modified Wed Oct 19 17:03:37 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 688
fixed an MPI compilation bug in GayBerne

Revision 688 - Directory Listing - [select for diffs]
Modified Wed Oct 19 16:49:59 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 687
fix an index mismathcing between c and fortran

Revision 687 - Directory Listing - [select for diffs]
Modified Tue Oct 18 23:03:27 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 686
added samples for the cutoff methods that Yang Zheng has been working on

Revision 686 - Directory Listing - [select for diffs]
Modified Tue Oct 18 21:13:49 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 685
fixed gb/lj and gb/gb torques and a rotation matrix bug

Revision 685 - Directory Listing - [select for diffs]
Modified Tue Oct 18 21:13:33 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 684
added a few GB test cases

Revision 684 - Directory Listing - [select for diffs]
Modified Tue Oct 18 21:13:21 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 683
Fixing GB parameters

Revision 683 - Directory Listing - [select for diffs]
Modified Tue Oct 18 18:36:14 2005 UTC (19 years, 6 months ago) by kdaily
Diff to previous 682
Changed the parameters for the Gay-Berne type

Revision 682 - Directory Listing - [select for diffs]
Modified Tue Oct 18 15:01:42 2005 UTC (19 years, 6 months ago) by chrisfen
Diff to previous 681
merged reaction field with electrostatics.F90

Revision 681 - Directory Listing - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 680
Customized StatWriter is working

Revision 680 - Directory Listing - [select for diffs]
Modified Mon Oct 17 22:42:07 2005 UTC (19 years, 6 months ago) by kdaily
Diff to previous 679
using notation from Cleaver paper

Revision 679 - Directory Listing - [select for diffs]
Modified Mon Oct 17 21:47:45 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 678
bugtracking gb

Revision 678 - Directory Listing - [select for diffs]
Modified Mon Oct 17 19:24:02 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 677
Another bug fix

Revision 677 - Directory Listing - [select for diffs]
Modified Mon Oct 17 19:22:31 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 676
fix some namespace issues in Globals

Revision 676 - Directory Listing - [select for diffs]
Modified Mon Oct 17 19:12:45 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 675
changing GB architecture

Revision 675 - Directory Listing - [select for diffs]
Modified Mon Oct 17 19:12:23 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 674
Adding samples for gb tests

Revision 674 - Directory Listing - [select for diffs]
Modified Mon Oct 17 03:06:29 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 673
fix a seg fault when try copy a  string to event's err_msg, there are still tons of memory leaking problem in Globals

Revision 673 - Directory Listing - [select for diffs]
Modified Mon Oct 17 00:51:16 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 672
Change error message in Globals

Revision 672 - Directory Listing - [select for diffs]
Modified Fri Oct 14 21:43:13 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 671
Constraints for parameters are working now

Revision 671 - Directory Listing - [select for diffs]
Modified Fri Oct 14 16:43:02 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 670
Adding .md files for GB/LJ tests

Revision 670 - Directory Listing - [select for diffs]
Modified Fri Oct 14 16:05:46 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 669
Adding some Gay Berne tests

Revision 669 - Directory Listing - [select for diffs]
Modified Fri Oct 14 16:05:34 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 668
Adding some cutoff tests

Revision 668 - Directory Listing - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (19 years, 6 months ago) by kdaily
Diff to previous 667
Add parts for the GayBerne LJ

Revision 667 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:48:10 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 666
Adding Parameter Constraint class

Revision 666 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
Diff to previous 665
added default restraint spring constants into Globals

Revision 665 - Directory Listing - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 664
rewrite Globals

Revision 664 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:57:16 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 663
Fix to forceManager to pass potential array to fortran.

Revision 663 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:59 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 662
Don't remember what we did

Revision 662 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:50 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 661
simplifying long range potential array

Revision 661 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:26 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 660
Testing new cutoff methods

Revision 660 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:11 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 659
Messing with 2-point water models

Revision 659 - Directory Listing - [select for diffs]
Modified Wed Oct 12 20:22:34 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 658
Breaky, Breaky: c-fortran interface now expects an array for pot.

Revision 658 - Directory Listing - [select for diffs]
Modified Wed Oct 12 20:18:17 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 657
More Change goodness for calculation of potential.

Revision 657 - Directory Listing - [select for diffs]
Modified Wed Oct 12 19:55:26 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 656
More changes to MPI potential calculations.

Revision 656 - Directory Listing - [select for diffs]
Modified Wed Oct 12 18:59:16 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 655
Breaky Breaky: Add Support for seperating potential contributions.

Revision 655 - Directory Listing - [select for diffs]
Modified Tue Oct 11 22:00:30 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 654
Free some variables that weren't freed before.

Revision 654 - Directory Listing - [select for diffs]
Modified Tue Oct 11 21:59:52 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 653
Design change for nanoRod builder --twinned.

Revision 653 - Directory Listing - [select for diffs]
Modified Tue Oct 11 21:57:22 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 652
Added code for nanoparticle builder to cvs.

Revision 652 - Directory Listing - [select for diffs]
Modified Mon Oct 10 21:34:54 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 651
Bug fix, undeclared local variable in MPI.

Revision 651 - Directory Listing - [select for diffs]
Modified Mon Oct 10 21:20:46 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 650
Fixed MPI bug with Row and Column indexing of groupToGtype. We now have two seperate maps groupToGtypeRow and groupToGypeCol. GroupToGtypeCol is a pointer that is set to groupToGtypeRow in the single processor version.

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 649
fixing up the samples

Revision 649 - Directory Listing - [select for diffs]
Modified Wed Oct 5 21:12:41 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 648
There is still something wrong with inertia tensor projection

Revision 648 - Directory Listing - [select for diffs]
Modified Wed Oct 5 19:35:28 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 647
erase output of inertia tensor. There is still something wrong with current implementation.

Revision 647 - Directory Listing - [select for diffs]
Modified Wed Oct 5 19:34:01 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 646
fix a bug in creating cutoffGroup. When
cutoffGroup is turned off, there is a mismatch between group and
center of mass array

Revision 646 - Directory Listing - [select for diffs]
Modified Wed Oct 5 19:12:02 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 645
fix a bug in creating cutoffGroup. When cutoffGroup is turned off, there is a mismatch between group and center of mass array

Revision 645 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:34:03 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 644
fixed an annoying mass ratio bug that results in simulation failure with massless particles

Revision 644 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:33:22 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 643
maybe some work on wolf

Revision 643 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 642
just some random changes when testing

Revision 642 - Directory Listing - [select for diffs]
Modified Mon Oct 3 15:54:23 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 641
fix a bug in projecting the inertia tensor of
directional atom in rigibody into rigidbody's body frame (previous commit is wrong)

Revision 641 - Directory Listing - [select for diffs]
Modified Mon Oct 3 14:31:31 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 640
fix a bug in projecting the inertia tensor of directional atom in rigibody into rigidbody's body frame

Revision 640 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:17 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 639
working on wolf

Revision 639 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 638
fixed some samples

Revision 638 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:46:04 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 637
updated

Revision 637 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:55:57 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 636
using epsilon instead of 0.0 to avoid divergence in rotation matrix to quaternion transformation

Revision 636 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:44 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 635
Rotation matrix multiplication order error

Revision 635 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:30 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 634
tracking down quaternion bug

Revision 634 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:21 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 633
Added DIP atom types for 2-point water model

Revision 633 - Directory Listing - [select for diffs]
Modified Tue Sep 27 20:02:57 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 632
fix a bug in convert rotation matrix to quaternion

Revision 632 - Directory Listing - [select for diffs]
Modified Mon Sep 26 18:38:02 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 631
Added define for ifc 7 so derfc is external. Other compilers should treat erfc as intrinsic.

Revision 631 - Directory Listing - [select for diffs]
Modified Mon Sep 26 17:07:54 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 630
Changed erfc to derfc and declared it to be external to fix issure with ifc7. Hopefully this will not cause a problem with other compilers where derfc is an intrinsic function.

Revision 630 - Directory Listing - [select for diffs]
Modified Mon Sep 26 16:42:53 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 629
MPI fix for SimHasAtype in simulation module. We needed a seperate receive buffer.

Revision 629 - Directory Listing - [select for diffs]
Modified Mon Sep 26 15:58:17 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 628
Added support for skinThickness keyword to Globals.

Revision 628 - Directory Listing - [select for diffs]
Modified Mon Sep 26 15:56:31 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 627
fix a typo in DumpReader

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 626
fixing up some samples

Revision 626 - Directory Listing - [select for diffs]
Modified Sat Sep 24 17:39:36 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 625
slowdown fixed - now roughly the same speed as the old version when using dipoles

energies are now exactly the same between the old version of OOPSE and this version

Revision 625 - Directory Listing - [select for diffs]
Modified Sat Sep 24 17:38:10 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 624
turned rf on

Revision 624 - Directory Listing - [select for diffs]
Modified Fri Sep 23 20:31:02 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 623
Fixed "dum-dum" where we ignore the skin thickness and hardcode listSkin to be 1.0. We now get listskin from skin. This will get fixed to where we can manually set skin thickness.

Revision 623 - Directory Listing - [select for diffs]
Modified Thu Sep 22 18:50:34 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 622
added error function

Revision 622 - Directory Listing - [select for diffs]
Modified Thu Sep 22 00:08:03 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 621
Removed print statement for angular momentum and inertia tensor from velocitizer.

Revision 621 - Directory Listing - [select for diffs]
Modified Thu Sep 22 00:04:56 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 620
Removed print statements for remove angular momentum.

Revision 620 - Directory Listing - [select for diffs]
Modified Wed Sep 21 23:45:48 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 619
Bug fix: If we are not using LJ (say we are using EAM), we probably shouldn't rebuild the LJ mixing map.

Revision 619 - Directory Listing - [select for diffs]
Modified Wed Sep 21 20:59:31 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 618
DumpReader using pure c++ io

Revision 618 - Directory Listing - [select for diffs]
Modified Wed Sep 21 17:20:14 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 617
Fixed a defaultCutoff bug (HEMES!)

Revision 617 - Directory Listing - [select for diffs]
Modified Tue Sep 20 22:13:44 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 616
libz additions

Revision 616 - Directory Listing - [select for diffs]
Modified Tue Sep 20 22:03:35 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 615
added check for zlib in configure

Revision 615 - Directory Listing - [select for diffs]
Modified Tue Sep 20 21:22:38 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 614
adding zlib support for DumpWriter

Revision 614 - Directory Listing - [select for diffs]
Modified Tue Sep 20 16:22:00 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 613
adding testcase for zipstream

Revision 613 - Directory Listing - [select for diffs]
Modified Tue Sep 20 15:41:39 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 612
adding zipstream.hpp

Revision 612 - Directory Listing - [select for diffs]
Modified Tue Sep 20 15:34:15 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 611
fixed up some sample md files

Revision 611 - Directory Listing - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 610
Fixed bugs in reaction field, now it appears as though it really is working...

Revision 610 - Directory Listing - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 609
reaction field seems to work now, still need to do some testing...

Revision 609 - Directory Listing - [select for diffs]
Modified Fri Sep 16 23:04:47 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 608
Added keywords for compressed dump files.

Revision 608 - Directory Listing - [select for diffs]
Modified Fri Sep 16 21:07:45 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 607
xlf found a bug that ifc missed...

Revision 607 - Directory Listing - [select for diffs]
Modified Fri Sep 16 20:37:05 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 606
fixing some summation method issues

Revision 606 - Directory Listing - [select for diffs]
Modified Fri Sep 16 19:35:14 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 605
fixed a capitalization error

Revision 605 - Directory Listing - [select for diffs]
Modified Fri Sep 16 19:34:54 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 604
moved a header file around

Revision 604 - Directory Listing - [select for diffs]
Modified Fri Sep 16 19:00:12 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 603
it builds now, but there are known issues - particularly with reaction field...

Revision 603 - Directory Listing - [select for diffs]
Modified Fri Sep 16 16:07:39 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 602
some fixes but even more breaking (cutting out the old way to do reaction field)

Revision 602 - Directory Listing - [select for diffs]
Modified Thu Sep 15 22:05:21 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 601
Working on adding WOLF

Revision 601 - Directory Listing - [select for diffs]
Modified Thu Sep 15 19:17:04 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 600
Fix a bug in DumpReader in case readFrame is called without calling getNFrames

Revision 600 - Directory Listing - [select for diffs]
Modified Thu Sep 15 13:47:16 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 599
forgot to add a header

Revision 599 - Directory Listing - [select for diffs]
Modified Thu Sep 15 02:48:43 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 598
Fixed bug where gtypeMaxCutoff was not initialized after creation. When maxval(gtypeMaxCutoff) was called, the largest random garbage value was returned from the array.

Revision 598 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:14:35 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 597
changes to include the coulombicCorrection selector

Revision 597 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:13:56 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 596
added in the undamped wolf, in the process of doing the damped wolf

Revision 596 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:13:15 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 595
some changes to activate the coulombicCorrection selector

Revision 595 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:11:52 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 594
just some testing

Revision 594 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:11:18 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 593
Equilibrated the sample

Revision 593 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:10:58 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 592
re-added Cl- and Na+

Revision 592 - Directory Listing - [select for diffs]
Modified Wed Sep 14 20:31:38 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 591
EAM now uses eamlist to lookup eamAtypes instead of assuming a 1-1 correspondence to atypes.

Revision 591 - Directory Listing - [select for diffs]
Modified Wed Sep 14 20:28:05 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 590
fix to put back calculation of r in do_prepair

Revision 590 - Directory Listing - [select for diffs]
Modified Wed Sep 14 19:02:33 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 589
fixed a bug in the createMixingMap routine.  It should now set doShift
correctly

Revision 589 - Directory Listing - [select for diffs]
Modified Wed Sep 7 22:44:48 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 588
Added nGroupsInRow for mpi build.

Revision 588 - Directory Listing - [select for diffs]
Modified Wed Sep 7 22:23:20 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 587
Added access to mpi logical variables

Revision 587 - Directory Listing - [select for diffs]
Modified Wed Sep 7 22:08:39 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 586
bugfix on the grouptype finding algorithm

Revision 586 - Directory Listing - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 585
adding c-side interface to change cutoff Policy

Revision 585 - Directory Listing - [select for diffs]
Modified Wed Sep 7 19:18:54 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 584
Some bug hunting

Revision 584 - Directory Listing - [select for diffs]
Modified Wed Sep 7 19:18:44 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 583
Just a longer test

Revision 583 - Directory Listing - [select for diffs]
Modified Tue Sep 6 17:32:42 2005 UTC (19 years, 8 months ago) by chuckv
Diff to previous 582
Added allocation for gtypeCutoffmap etc..

Revision 582 - Directory Listing - [select for diffs]
Modified Thu Sep 1 22:56:20 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 581
initialized atomTypeMaxCutoff(i) to zero

Revision 581 - Directory Listing - [select for diffs]
Modified Thu Sep 1 20:17:55 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 580
wrote createGtypeCutoffMap

Revision 580 - Directory Listing - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 579
made some changes for implementing the wolf potential

Revision 579 - Directory Listing - [select for diffs]
Modified Fri Aug 26 22:39:25 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 578
updated getEAMCut

Revision 578 - Directory Listing - [select for diffs]
Modified Fri Aug 26 21:30:41 2005 UTC (19 years, 8 months ago) by chrisfen
Diff to previous 577
added some probably nonfunctional get*cut routines

Revision 577 - Directory Listing - [select for diffs]
Modified Fri Aug 26 20:34:24 2005 UTC (19 years, 8 months ago) by chuckv
Diff to previous 576
Added eamType map to atid map.

Revision 576 - Directory Listing - [select for diffs]
Modified Fri Aug 26 16:36:16 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 575
fixing some of the problems in the interactionHash and gtypeCutoff routines

Revision 575 - Directory Listing - [select for diffs]
Modified Wed Aug 17 15:26:42 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 574
added fCutoffPolicy.h

Revision 574 - Directory Listing - [select for diffs]
Modified Thu Aug 11 21:04:03 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 573
breakage in progress

Revision 573 - Directory Listing - [select for diffs]
Modified Wed Aug 10 19:17:39 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 572
putting spaceballs back where they belong

Revision 572 - Directory Listing - [select for diffs]
Modified Tue Aug 9 22:33:48 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 571
Complete rewrite of Lennard Jones module

Revision 571 - Directory Listing - [select for diffs]
Modified Tue Aug 9 22:33:37 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 570
Breaky Breaky BREAKY breaky breaky

Revision 570 - Directory Listing - [select for diffs]
Modified Tue Aug 9 19:40:56 2005 UTC (19 years, 8 months ago) by chuckv
Diff to previous 569
In process of re-write for group based cutoff....

Revision 569 - Directory Listing - [select for diffs]
Modified Fri Jul 29 19:38:27 2005 UTC (19 years, 9 months ago) by gezelter
Diff to previous 568
fixes in progress

Revision 568 - Directory Listing - [select for diffs]
Modified Fri Jul 29 17:34:06 2005 UTC (19 years, 9 months ago) by tim
Diff to previous 567
fix a bug which does not update me_i and me_j correctly

Revision 567 - Directory Listing - [select for diffs]
Modified Thu Jul 28 22:12:45 2005 UTC (19 years, 9 months ago) by chuckv
Diff to previous 566
Changed cutoffs... Segfaults nicely now...

Revision 566 - Directory Listing - [select for diffs]
Modified Wed Jul 20 17:04:42 2005 UTC (19 years, 9 months ago) by gezelter
Diff to previous 565
fixed ACX_MPI to ignore some text error messages from pathscale compiler

Revision 565 - Directory Listing - [select for diffs]
Modified Wed Jul 13 16:48:49 2005 UTC (19 years, 9 months ago) by tim
Diff to previous 564
std::bind2nd is in <functional>

Revision 564 - Directory Listing - [select for diffs]
Modified Wed Jul 13 15:54:00 2005 UTC (19 years, 9 months ago) by tim
Diff to previous 563
replace c++ style comment in c files

Revision 563 - Directory Listing - [select for diffs]
Modified Sun Jul 3 20:53:43 2005 UTC (19 years, 10 months ago) by chuckv
Diff to previous 562
Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.

Revision 562 - Directory Listing - [select for diffs]
Modified Tue Jun 28 13:58:45 2005 UTC (19 years, 10 months ago) by gezelter
Diff to previous 561
*** empty log message ***

Revision 561 - Directory Listing - [select for diffs]
Modified Mon Jun 27 22:21:37 2005 UTC (19 years, 10 months ago) by chuckv
Diff to previous 560
More breaking and destruction of force code. Does not build at this point...

Revision 560 - Directory Listing - [select for diffs]
Modified Mon Jun 27 21:01:36 2005 UTC (19 years, 10 months ago) by gezelter
Diff to previous 559
Breaky breaky!

Revision 559 - Directory Listing - [select for diffs]
Modified Mon Jun 20 16:03:30 2005 UTC (19 years, 10 months ago) by gezelter
Diff to previous 558
fixed a bug and ran a simulation

Revision 558 - Directory Listing - [select for diffs]
Modified Mon Jun 13 18:25:30 2005 UTC (19 years, 10 months ago) by tim
Diff to previous 557
working version of DensityPlot

Revision 557 - Directory Listing - [select for diffs]
Modified Tue May 31 22:31:54 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 556
Changes to remove angular momentum.

Revision 556 - Directory Listing - [select for diffs]
Modified Tue May 31 17:34:18 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 555
Fixed bug in typo in nanorodBuilder.

Revision 555 - Directory Listing - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 554
Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

Revision 554 - Directory Listing - [select for diffs]
Modified Sun May 29 21:16:25 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 553
Removed balance from the Darkside (files)

Revision 553 - Directory Listing - [select for diffs]
Modified Sun May 29 21:15:52 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 552
Removed balance from doForces

Revision 552 - Directory Listing - [select for diffs]
Modified Sun May 29 21:15:36 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 551
Updated tap sample

Revision 551 - Directory Listing - [select for diffs]
Modified Sun May 29 21:15:14 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 550
Included a tap dimer for testing purposes

Revision 550 - Directory Listing - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 549
Re-entered the TIP4P-Ew water model. It was apparently wiped earlier this month...

Revision 549 - Directory Listing - [select for diffs]
Modified Sun May 29 21:13:23 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 548
ran make cvslog

Revision 548 - Directory Listing - [select for diffs]
Modified Sun May 29 00:16:14 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 547
adding AtomNameVisitor

Revision 547 - Directory Listing - [select for diffs]
Modified Sun May 29 00:09:13 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 546
dding resetIntegrator

Revision 546 - Directory Listing - [select for diffs]
Modified Sun May 29 00:06:14 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 545
adding resetIntegrator

Revision 545 - Directory Listing - [select for diffs]
Modified Fri May 27 21:11:24 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 544
adding DensityPlot into StaticProps

Revision 544 - Directory Listing - [select for diffs]
Modified Fri May 27 04:41:34 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 543
adding SCDOrderParameter into StaticProps

Revision 543 - Directory Listing - [select for diffs]
Modified Thu May 26 22:45:00 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 542
adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor
now wrap back to the center of the mass; adding P2OrderParameter into StaticProps

Revision 542 - Directory Listing - [select for diffs]
Modified Sun May 22 21:36:21 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 541
Fix to print pressure tensor.

Revision 541 - Directory Listing - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 540
adding keyword printPressureTensor

Revision 540 - Directory Listing - [select for diffs]
Modified Fri May 20 19:27:03 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 539
NPrT in progress

Revision 539 - Directory Listing - [select for diffs]
Modified Fri May 20 16:01:38 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 538
NPrT in progress

Revision 538 - Directory Listing - [select for diffs]
Modified Thu May 19 21:31:23 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 537
NPAT is working

Revision 537 - Directory Listing - [select for diffs]
Modified Thu May 19 15:49:53 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 536
fix bug in NPAT and NPrT

Revision 536 - Directory Listing - [select for diffs]
Modified Thu May 19 04:28:26 2005 UTC (19 years, 11 months ago) by tim
Diff to previous 535
adding NPAT and NPrT integrators

Revision 535 - Directory Listing - [select for diffs]
Modified Wed May 18 19:06:22 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 534
just some tap changes

Revision 534 - Directory Listing - [select for diffs]
Modified Wed May 18 18:31:40 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 533
Modifications to temper the dipolar strength in the first solvation shell for tap

Revision 533 - Directory Listing - [select for diffs]
Modified Wed May 18 12:35:52 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 532
added a tap example for testing purposes

Revision 532 - Directory Listing - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 531
Modifications to tap.  Also correcting changes to the previous merge that were not caught

Revision 531 - Directory Listing - [select for diffs]
Modified Tue May 17 04:20:09 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 530
Fixed merge issues between Kyle and Chris so OOPSE will actually build.

Revision 530 - Directory Listing - [select for diffs]
Modified Tue May 17 03:46:45 2005 UTC (19 years, 11 months ago) by kdaily
Diff to previous 529
help

Revision 529 - Directory Listing - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (19 years, 11 months ago) by kdaily
Diff to previous 528
added gb

Revision 528 - Directory Listing - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 527
Better tap

Revision 527 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 526
Couple of changes for TAP water.  Need to parametrize.

Revision 526 - Directory Listing - [select for diffs]
Modified Wed May 11 23:15:05 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 525
Fixed build issues under ifc7.

Revision 525 - Directory Listing - [select for diffs]
Modified Mon May 9 22:07:30 2005 UTC (19 years, 11 months ago) by chuckv
Diff to previous 524
More geometry builder changes.

Revision 524 - Directory Listing - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (20 years ago) by chrisfen
Diff to previous 523
Changed SHED to TAP

Revision 523 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years ago) by chrisfen
Diff to previous 522
OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 522 - Directory Listing - [select for diffs]
Modified Tue May 3 22:55:29 2005 UTC (20 years ago) by chuckv
Diff to previous 521
Adding support for generic geometry to nanorodbuilder.

Revision 521 - Directory Listing - [select for diffs]
Modified Tue May 3 17:55:28 2005 UTC (20 years ago) by chuckv
Diff to previous 520
More changes to nanoRodBuilder....

Revision 520 - Directory Listing - [select for diffs]
Modified Fri Apr 29 19:16:27 2005 UTC (20 years ago) by gezelter
Diff to previous 519
*** empty log message ***

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years ago) by chrisfen
Diff to previous 518
Added TIP4P-Ew

Revision 518 - Directory Listing - [select for diffs]
Modified Thu Apr 28 00:24:11 2005 UTC (20 years ago) by chuckv
Diff to previous 517
Fixed issues with nanoRodBuilder....

Revision 517 - Directory Listing - [select for diffs]
Modified Wed Apr 27 20:14:03 2005 UTC (20 years ago) by chrisfen
Diff to previous 516
Got rid of write statements and am closer to a working shapes

Revision 516 - Directory Listing - [select for diffs]
Modified Fri Apr 22 21:57:16 2005 UTC (20 years ago) by chuckv
Diff to previous 515
Fixed gcc4 bug...

Revision 515 - Directory Listing - [select for diffs]
Modified Fri Apr 22 21:52:51 2005 UTC (20 years ago) by tim
Diff to previous 514
adding CharClassificationFunctor to fix the locale problem  of c++

Revision 514 - Directory Listing - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years ago) by chrisfen
Diff to previous 513
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...

Revision 513 - Directory Listing - [select for diffs]
Modified Mon Apr 18 15:44:22 2005 UTC (20 years ago) by chrisfen
Diff to previous 512
axed because file causes havoc on Mac (capitalization confusion of filenames)

Revision 512 - Directory Listing - [select for diffs]
Modified Mon Apr 18 03:50:23 2005 UTC (20 years ago) by chrisfen
Diff to previous 511
Working on the shapes parser...

Revision 511 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:43:26 2005 UTC (20 years ago) by gezelter
Diff to previous 510
gmake in case people forget

Revision 510 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:40:33 2005 UTC (20 years ago) by gezelter
Diff to previous 509
fixed the spacing on the banner.  Vanity.

Revision 509 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:22:30 2005 UTC (20 years ago) by gezelter
Diff to previous 508
Version string in banner (and version numbers in config.h)

Revision 508 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:22:10 2005 UTC (20 years ago) by gezelter
Diff to previous 507
Documentation changes

Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Diff to previous 506
xemacs has been drafted to perform our indentation services

Revision 506 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:03:16 2005 UTC (20 years ago) by gezelter
Diff to previous 505
Jedi mind-trick warning messages have been added to
make users ignore CGAL.

Revision 505 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:41:38 2005 UTC (20 years ago) by tim
Diff to previous 504
fix make install

Revision 504 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:41:07 2005 UTC (20 years ago) by tim
Diff to previous 503
add  Makefile of samples

Revision 503 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:33:03 2005 UTC (20 years ago) by tim
Diff to previous 502
some samples are not installed correctly

Revision 502 - Directory Listing - [select for diffs]
Modified Thu Apr 14 21:41:56 2005 UTC (20 years ago) by gezelter
Diff to previous 501
configure now searches for perl to use with filepp

Revision 501 - Directory Listing - [select for diffs]
Modified Thu Apr 14 21:20:36 2005 UTC (20 years ago) by gezelter
Diff to previous 500
Fixed a bug in RigidBodyStamp section of MoLocator

Revision 500 - Directory Listing - [select for diffs]
Modified Thu Apr 14 19:12:17 2005 UTC (20 years ago) by gezelter
Diff to previous 499
*** empty log message ***

Revision 499 - Directory Listing - [select for diffs]
Modified Thu Apr 14 16:10:57 2005 UTC (20 years ago) by chuckv
Diff to previous 498
nanorodbuilder now exit's when libCGAL is not present.

Revision 498 - Directory Listing - [select for diffs]
Modified Thu Apr 14 15:20:15 2005 UTC (20 years ago) by tim
Diff to previous 497
fix one more warning message in make_nodes

Revision 497 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:36:26 2005 UTC (20 years ago) by chuckv
Diff to previous 496
Changed interface name for SGI Compiler

Revision 496 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years ago) by chrisfen
Diff to previous 495
oops...  bad sample

Revision 495 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:00:31 2005 UTC (20 years ago) by chuckv
Diff to previous 494
Change typo in CGAL.

Revision 494 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:43:43 2005 UTC (20 years ago) by tim
Diff to previous 493
fix some warning messages

Revision 493 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:30:22 2005 UTC (20 years ago) by gezelter
Diff to previous 492
added CGAL checks

Revision 492 - Directory Listing - [select for diffs]
Modified Wed Apr 13 20:36:45 2005 UTC (20 years ago) by chuckv
Diff to previous 491
Added destroy methods for Fortran modules.

Revision 491 - Directory Listing - [select for diffs]
Modified Wed Apr 13 20:17:06 2005 UTC (20 years ago) by chuckv
Diff to previous 490
Added destroy method to clean up memory

Revision 490 - Directory Listing - [select for diffs]
Modified Wed Apr 13 18:41:17 2005 UTC (20 years ago) by tim
Diff to previous 489
more memory leak are fixed

Revision 489 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:44:34 2005 UTC (20 years ago) by chuckv
Diff to previous 488
File not needed for nanoRodBuilder.

Revision 488 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:42:13 2005 UTC (20 years ago) by tim
Diff to previous 487
fix memory leak in nanorodBuilder and simpleBuilder(forget to delete lattice)

Revision 487 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:33:50 2005 UTC (20 years ago) by tim
Diff to previous 486
refactory lattice

Revision 486 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:10:07 2005 UTC (20 years ago) by tim
Diff to previous 485
refactory LatticeFactory and LatticeCreator

Revision 485 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:07:45 2005 UTC (20 years ago) by tim
Diff to previous 484
refactory LatticeFactory and LatticeCreator

Revision 484 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:58:09 2005 UTC (20 years ago) by tim
Diff to previous 483
refactory LatticeFactory and LatticeCreator

Revision 483 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:28:07 2005 UTC (20 years ago) by gezelter
Diff to previous 482
cleaned up vector_class memory leak fix by deallocating in reverse
order of how we allocated.  Also migrated MoLocator into utils directory

Revision 482 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:27:33 2005 UTC (20 years ago) by gezelter
Diff to previous 481
added lattice directory

Revision 481 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:27:27 2005 UTC (20 years ago) by gezelter
Diff to previous 480
added lattice directory, so all of these files are now redundant

Revision 480 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:27:02 2005 UTC (20 years ago) by gezelter
Diff to previous 479
cleaned up memory leak fix

Revision 479 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:26:42 2005 UTC (20 years ago) by gezelter
Diff to previous 478
added lattice subdirectory

Revision 478 - Directory Listing - [select for diffs]
Modified Tue Apr 12 20:57:32 2005 UTC (20 years ago) by chrisfen
Diff to previous 477
no real changes here, maybe added a space by accident

Revision 477 - Directory Listing - [select for diffs]
Modified Tue Apr 12 20:56:46 2005 UTC (20 years ago) by chrisfen
Diff to previous 476
added quadrupole sample

Revision 476 - Directory Listing - [select for diffs]
Modified Tue Apr 12 20:56:20 2005 UTC (20 years ago) by chrisfen
Diff to previous 475
updating samples

Revision 475 - Directory Listing - [select for diffs]
Modified Tue Apr 12 18:30:37 2005 UTC (20 years ago) by tim
Diff to previous 474
destory atom type in fortran side

Revision 474 - Directory Listing - [select for diffs]
Modified Tue Apr 12 17:45:31 2005 UTC (20 years ago) by chuckv
Diff to previous 473
Further changes to vector_class destroy function.

Revision 473 - Directory Listing - [select for diffs]
Modified Tue Apr 12 17:39:06 2005 UTC (20 years ago) by chuckv
Diff to previous 472
Fixed pointer memory leak in vector_class.

Revision 472 - Directory Listing - [select for diffs]
Modified Tue Apr 12 17:12:27 2005 UTC (20 years ago) by chuckv
Diff to previous 471
Updates to deallocate object in fortran.

Revision 471 - Directory Listing - [select for diffs]
Modified Tue Apr 12 14:24:29 2005 UTC (20 years ago) by chrisfen
Diff to previous 470
minor change to TI output

Revision 470 - Directory Listing - [select for diffs]
Modified Tue Apr 12 00:29:43 2005 UTC (20 years ago) by chuckv
Diff to previous 469
Changes to delete atypes...

Revision 469 - Directory Listing - [select for diffs]
Modified Tue Apr 12 00:28:29 2005 UTC (20 years ago) by chuckv
Diff to previous 468
Added code to delete vector.

Revision 468 - Directory Listing - [select for diffs]
Modified Mon Apr 11 21:58:05 2005 UTC (20 years ago) by tim
Diff to previous 467
avoid multiple inherit in basic_ifstrstream

Revision 467 - Directory Listing - [select for diffs]
Modified Mon Apr 11 21:37:30 2005 UTC (20 years ago) by chuckv
Diff to previous 466
Importing nanoRodBuilder application (may not work yet).  ((Doesn't work yet.))
(((May never work....)))

Revision 466 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:54:53 2005 UTC (20 years ago) by tim
Diff to previous 465
forget to delete prepareVisitor in Dump2XYZ

Revision 465 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:19:22 2005 UTC (20 years ago) by chrisfen
Diff to previous 464
fixing of the quadrupoles.  look!  it's divide by 3 like stone says!

Revision 464 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:18:53 2005 UTC (20 years ago) by chrisfen
Diff to previous 463
fixing of the quadrupoles

Revision 463 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:16:50 2005 UTC (20 years ago) by tim
Diff to previous 462
change the parameter name in constructors

Revision 462 - Directory Listing - [select for diffs]
Modified Mon Apr 11 19:49:43 2005 UTC (20 years ago) by gezelter
Diff to previous 461
One more bug fix for GNU make versions < 3.80

Revision 461 - Directory Listing - [select for diffs]
Modified Mon Apr 11 19:06:57 2005 UTC (20 years ago) by gezelter
Diff to previous 460
Fixed the uc and lc functions for GNU make versions < 3.80

Revision 460 - Directory Listing - [select for diffs]
Modified Mon Apr 11 16:14:05 2005 UTC (20 years ago) by gezelter
Diff to previous 459
added some stuff to clean out module files during "make clean"

Revision 459 - Directory Listing - [select for diffs]
Modified Fri Apr 8 22:13:41 2005 UTC (20 years ago) by chrisfen
Diff to previous 458
quadrupole interactions should be working with a remaining question of interaction magnitude

Revision 458 - Directory Listing - [select for diffs]
Modified Fri Apr 8 22:12:52 2005 UTC (20 years ago) by chrisfen
Diff to previous 457
messing with samples

Revision 457 - Directory Listing - [select for diffs]
Modified Fri Apr 8 18:48:04 2005 UTC (20 years ago) by chrisfen
Diff to previous 456
oops...  messed up a sample

Revision 456 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:43:06 2005 UTC (20 years ago) by chrisfen
Diff to previous 455
Altered signs to fix charge-dipole interactions

Revision 455 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:42:27 2005 UTC (20 years ago) by chrisfen
Diff to previous 454
changes during debug of charge-dipole

Revision 454 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (20 years ago) by chrisfen
Diff to previous 453
added Cl- and Na+

Revision 453 - Directory Listing - [select for diffs]
Modified Wed Apr 6 23:59:59 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 452
reinitialize buffer_stack_ptr in BASS parser

Revision 452 - Directory Listing - [select for diffs]
Modified Tue Apr 5 23:09:48 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 451
support '+' and '-' in atom type name;clean the code a little bit

Revision 451 - Directory Listing - [select for diffs]
Modified Tue Mar 29 21:00:54 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 450
fix a bug in converting rotation matrix to quaternion

Revision 450 - Directory Listing - [select for diffs]
Modified Mon Mar 28 22:41:19 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 449
fixed the wrapping

Revision 449 - Directory Listing - [select for diffs]
Modified Mon Mar 28 22:30:06 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 448
LipidTranVisitor should do the wrapping

Revision 448 - Directory Listing - [select for diffs]
Modified Mon Mar 28 15:54:04 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 447
fix a bug in getting the dimension of histogram

Revision 447 - Directory Listing - [select for diffs]
Modified Tue Mar 22 16:38:37 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 446
avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps

Revision 446 - Directory Listing - [select for diffs]
Modified Mon Mar 21 22:34:40 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 445
Corrected changes to the forcefield files

Revision 445 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:51:10 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 444
Make sure electrostatic_module provides data for reaction_field

Revision 444 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 443
Chris debugging stuff.  HE WILL CHANGE THIS BACK, RIGHT?

Revision 443 - Directory Listing - [select for diffs]
Modified Mon Mar 21 19:23:27 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 442
constant back to correct value

Revision 442 - Directory Listing - [select for diffs]
Modified Mon Mar 21 19:22:55 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 441
fixed an install-related bug.  $(InstallCommand) had been set
to $(InstallData)

Revision 441 - Directory Listing - [select for diffs]
Modified Tue Mar 15 14:21:31 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 440
VelocityVerletIntegrator already deletes and Nullifies restWriter,
so Integrator shouldn't do it.

Revision 440 - Directory Listing - [select for diffs]
Modified Tue Mar 15 14:20:50 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 439
fixed three typos

Revision 439 - Directory Listing - [select for diffs]
Modified Sun Mar 13 07:39:01 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 438
first run at charge-quadrupole interactions

Revision 438 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 437
forgot a couple of makefiles

Revision 437 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 436
added some samples

Revision 436 - Directory Listing - [select for diffs]
Modified Fri Mar 11 17:50:11 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 435
fix a typo in MultipoleAtomTypesSectionParser

Revision 435 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:55:17 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 434
pairs inside cutoff group should not be excluded

Revision 434 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:53:18 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 433
settled on a unit for quadrupoles

Revision 433 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:52:59 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 432
quadrupoles for SSD models

Revision 432 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 431
clean up SimInfo; modify the images of SelectionExpression.html

Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 430
fixed a bug in MPI restraints

Revision 430 - Directory Listing - [select for diffs]
Modified Thu Mar 10 23:56:42 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 429
adding exclude pairs for rigidbody and cutoff group

Revision 429 - Directory Listing - [select for diffs]
Modified Thu Mar 10 22:06:07 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 428
fixed a doxygen problem

Revision 428 - Directory Listing - [select for diffs]
Modified Thu Mar 10 21:51:20 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 427
messing with the split dipole test cases

Revision 427 - Directory Listing - [select for diffs]
Modified Thu Mar 10 21:51:06 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 426
updated some documentation

Revision 426 - Directory Listing - [select for diffs]
Modified Thu Mar 10 20:40:56 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 425
LinkedList removal project starts now

Revision 425 - Directory Listing - [select for diffs]
Modified Thu Mar 10 20:28:17 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 424
using map to replace link list

Revision 424 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:44 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 423
adding test case  of split dipole

Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 422
Oops...  MPI now builds...

Revision 422 - Directory Listing - [select for diffs]
Modified Thu Mar 10 18:44:02 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 421
adding test case for split dipole

Revision 421 - Directory Listing - [select for diffs]
Modified Thu Mar 10 17:54:58 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 420
added fortran-side support for split dipoles

Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 419
fixes to restraints

Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 418
fixing restraints

Revision 418 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 417
minor change

Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 416
First commit of the new restraints code

Revision 416 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:48:14 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 415
adding IndexFinder

Revision 415 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 414
fix compilation issue

Revision 414 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 413
fix a bug in SectionParser (lineNo is not updated)

Revision 413 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 412
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

Revision 412 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:28:11 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 411
change the format of DUFF2

Revision 411 - Directory Listing - [select for diffs]
Modified Wed Mar 9 15:44:59 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 410
new electrostatic module

Revision 410 - Directory Listing - [select for diffs]
Modified Wed Mar 9 14:26:15 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 409
added splitDipole and fixed quadrupole stuff

Revision 409 - Directory Listing - [select for diffs]
Modified Wed Mar 9 14:25:51 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 408
removed #include lines for outdated charge and dipole interfaces

Revision 408 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:08:50 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 407
addded a few fun charge-dipole test cases

Revision 407 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:07:49 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 406
fixing a strange icc8 bug (we think).

Revision 406 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:07:34 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 405
OOPSE_itoa!

Revision 405 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:07:27 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 404
Electrostatic Unification Project

Revision 404 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:07:14 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 403
Dunno

Revision 403 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:06:49 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 402
Using OOPSE_itoa and checking a NULL left over from the LinkedList days

Revision 402 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:06:12 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 401
electrostatic unification project
fixed an uninitialized variable in Lennard Jones mixing map

Revision 401 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:46 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 400
electrostatic unification project

Revision 400 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:31 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 399
making some cool test cases

Revision 399 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:18 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 398
Added a charge for Chlorine

Revision 398 - Directory Listing - [select for diffs]
Modified Mon Mar 7 22:39:33 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 397
Fixing a bug in BitSet.cpp

Revision 397 - Directory Listing - [select for diffs]
Modified Fri Mar 4 15:29:03 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 396
SPRNG eradication project

Revision 396 - Directory Listing - [select for diffs]
Modified Fri Mar 4 15:28:54 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 395
Cleaning up config.h.in by adding comments

Revision 395 - Directory Listing - [select for diffs]
Modified Thu Mar 3 14:40:20 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 394
avoid using const char*(hope can fixed the missing atom type problem)

Revision 394 - Directory Listing - [select for diffs]
Modified Wed Mar 2 16:29:47 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 393
adding base class of Random Number generator

Revision 393 - Directory Listing - [select for diffs]
Modified Wed Mar 2 16:28:20 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 392
info_ in Velocitizer is not initialized which causes a seg fault

Revision 392 - Directory Listing - [select for diffs]
Modified Wed Mar 2 15:36:14 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 391
remove default parameter from MersenneTwister.hpp which causes all kinds of trouble.
Refactory random number generator

Revision 391 - Directory Listing - [select for diffs]
Modified Wed Mar 2 07:32:15 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 390
Adding unit test for random number generator

Revision 390 - Directory Listing - [select for diffs]
Modified Tue Mar 1 23:17:46 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 389
fixed a file inclusion problem

Revision 389 - Directory Listing - [select for diffs]
Modified Tue Mar 1 23:17:05 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 388
fixed compilation problem

Revision 388 - Directory Listing - [select for diffs]
Modified Tue Mar 1 23:02:33 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 387
replace SPRNG by MTRand

Revision 387 - Directory Listing - [select for diffs]
Modified Tue Mar 1 23:00:40 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 386
Change the name of test case

Revision 386 - Directory Listing - [select for diffs]
Modified Tue Mar 1 21:00:09 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 385
adding testcase for random number generator

Revision 385 - Directory Listing - [select for diffs]
Modified Tue Mar 1 20:10:14 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 384
fix compilation problem for g++ 3.4

Revision 384 - Directory Listing - [select for diffs]
Modified Tue Mar 1 19:11:47 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 383
adding OOPSERandNumGen

Revision 383 - Directory Listing - [select for diffs]
Modified Tue Mar 1 15:44:45 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 382
Fixed the damned build problem with the libraries not
being removed in make clean and make distclean (at least
we think it is fixed).

Revision 382 - Directory Listing - [select for diffs]
Modified Tue Mar 1 15:26:13 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 381
Making small modifications to allow for use on MPI machines

Revision 381 - Directory Listing - [select for diffs]
Modified Tue Mar 1 14:45:45 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 380
adding MersenneTwister random number generator

Revision 380 - Directory Listing - [select for diffs]
Modified Tue Mar 1 03:55:13 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 379
Adding a modified version of MersenneTwister.hpp

Revision 379 - Directory Listing - [select for diffs]
Modified Mon Feb 28 17:24:51 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 378
selection expression

Revision 378 - Directory Listing - [select for diffs]
Modified Fri Feb 25 21:22:00 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 377
adding soft potential to LJ Module

Revision 377 - Directory Listing - [select for diffs]
Modified Fri Feb 25 16:38:26 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 376
adding documentation for selection expression

Revision 376 - Directory Listing - [select for diffs]
Modified Thu Feb 24 20:55:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 375
adding basic_teebuf which can operate on multiple stream simutaneously.

Revision 375 - Directory Listing - [select for diffs]
Modified Tue Feb 22 19:26:05 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 374
Added ssdrf sample

Revision 374 - Directory Listing - [select for diffs]
Modified Tue Feb 22 18:56:25 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 373
reactionfield get fixed

Revision 373 - Directory Listing - [select for diffs]
Modified Mon Feb 21 16:57:22 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 372
Fix a bug in GofRAngle

Revision 372 - Directory Listing - [select for diffs]
Modified Mon Feb 21 15:28:56 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 371
Fix for compilation on the Sun

Revision 371 - Directory Listing - [select for diffs]
Modified Mon Feb 21 15:22:56 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 370
fix for compilation on the Sun

Revision 370 - Directory Listing - [select for diffs]
Modified Mon Feb 21 15:21:54 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 369
fix problem in sun

Revision 369 - Directory Listing - [select for diffs]
Modified Fri Feb 18 23:07:32 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 368
adding LipidTransVisitor, GofXyz is working now

Revision 368 - Directory Listing - [select for diffs]
Modified Fri Feb 18 15:58:55 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 367
Corrected filename collision for EAM on Mac OS X

Revision 367 - Directory Listing - [select for diffs]
Modified Fri Feb 18 15:58:33 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 366
Updated copyright information

Revision 366 - Directory Listing - [select for diffs]
Modified Fri Feb 18 15:58:22 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 365
corrected filename collision for EAM on operating systems which are
not case sensitive (aka Mac OS X)

Revision 365 - Directory Listing - [select for diffs]
Modified Thu Feb 17 20:15:29 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 364
more bug get fixed

Revision 364 - Directory Listing - [select for diffs]
Modified Thu Feb 17 19:50:30 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 363
fix a bug in GofXyz

Revision 363 - Directory Listing - [select for diffs]
Modified Thu Feb 17 19:09:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 362
make processHistogram non-abstrct function

Revision 362 - Directory Listing - [select for diffs]
Modified Thu Feb 17 18:41:50 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 361
*** empty log message ***

Revision 361 - Directory Listing - [select for diffs]
Modified Thu Feb 17 18:30:54 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 360
finish GofXyz

Revision 360 - Directory Listing - [select for diffs]
Modified Thu Feb 17 16:21:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 359
change the output format of 2D radial distribution function

Revision 359 - Directory Listing - [select for diffs]
Modified Thu Feb 17 15:23:56 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 358
forget the const correctness for BitSet

Revision 358 - Directory Listing - [select for diffs]
Modified Thu Feb 17 15:18:36 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 357
The change of interface of BitSet cause a bug in SelectionEvaluation

Revision 357 - Directory Listing - [select for diffs]
Modified Wed Feb 16 21:13:48 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 356
return residentMem in byte

Revision 356 - Directory Listing - [select for diffs]
Modified Wed Feb 16 21:00:39 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 355
fix a bug in writing out the value of cosang

Revision 355 - Directory Listing - [select for diffs]
Modified Wed Feb 16 20:43:10 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 354
using PhysMem - RSSMem to estimate avaliable memory

Revision 354 - Directory Listing - [select for diffs]
Modified Wed Feb 16 20:30:50 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 353
change the default bin number

Revision 353 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 352
change the suffix of output files;fix the problem of counting in staticProps

Revision 352 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:39:56 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 351
fix a bug in BlockSnapshotManager

Revision 351 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 350
BlockSnapshotManager is using reference counting now

Revision 350 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:49:58 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 349
replace std::make_pair by VariablesType::value_type to make Sun Compiler happy

Revision 349 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:35:30 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 348
adding typedef to TokenMap, using TokenMapType::value_type instead of
std::make_pair to make Sun compiler happy

Revision 348 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:24:12 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 347
bug fix in StaticProps

Revision 347 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:11:35 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 346
(1) adding #ifdef __RWSTD to make sun compiler happy
(2) fix pair density calculation problem when two selections intersect with each other

Revision 346 - Directory Listing - [select for diffs]
Modified Tue Feb 15 15:24:54 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 345
cast of NULL to satisfy xlc++

Revision 345 - Directory Listing - [select for diffs]
Modified Tue Feb 15 15:17:01 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 344
*** empty log message ***

Revision 344 - Directory Listing - [select for diffs]
Modified Tue Feb 15 06:17:03 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 343
bug fix for null termination

Revision 343 - Directory Listing - [select for diffs]
Modified Tue Feb 15 06:11:22 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 342
bugfixing residentMem

Revision 342 - Directory Listing - [select for diffs]
Modified Tue Feb 15 05:59:14 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 341
bugfixes for residentMem on LINUX

Revision 341 - Directory Listing - [select for diffs]
Modified Tue Feb 15 05:08:57 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 340
added residentMem

Revision 340 - Directory Listing - [select for diffs]
Modified Tue Feb 15 05:05:33 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 339
modifications to estimate memory in use by other processes
autoconf fixes
ps syntax checking
config.h file cleaning

Revision 339 - Directory Listing - [select for diffs]
Modified Mon Feb 14 23:26:25 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 338
ps niceness

Revision 338 - Directory Listing - [select for diffs]
Modified Mon Feb 14 23:16:48 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 337
ps strangeness

Revision 337 - Directory Listing - [select for diffs]
Modified Mon Feb 14 19:42:08 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 336
fix a bug in BlockSnapshotManager.hpp

Revision 336 - Directory Listing - [select for diffs]
Modified Mon Feb 14 18:51:48 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 335
default length for staticProps is 1/2 smallest length of first frame

Revision 335 - Directory Listing - [select for diffs]
Modified Mon Feb 14 18:12:43 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 334
fix a bug in VelocityVerletIntegrator : last frame is written twice

Revision 334 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 333
begin bug fix

Revision 333 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:35:25 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 332
refactory CorrelationFunction

Revision 332 - Directory Listing - [select for diffs]
Modified Mon Feb 14 15:18:09 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 331
bug fix and start of switch for type of correlation function

Revision 331 - Directory Listing - [select for diffs]
Modified Sun Feb 13 21:18:27 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 330
fix a bug in calculating  bytes per stuntdouble

Revision 330 - Directory Listing - [select for diffs]
Modified Sun Feb 13 21:03:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 329
more fix

Revision 329 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:57:54 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 328
fixed a bug in CorrelationFunction

Revision 328 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:36:24 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 327
fixed a bug in SimInfo::getCutoff()

Revision 327 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:08:29 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 326
adding staticProps and dynamicProps into Makefile.in

Revision 326 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 325
maximum length defaults to the cutoff radius

Revision 325 - Directory Listing - [select for diffs]
Modified Sun Feb 13 19:14:43 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 324
adding Algorithm.hpp

Revision 324 - Directory Listing - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 323
dynamicProps get built

Revision 323 - Directory Listing - [select for diffs]
Modified Sun Feb 13 15:56:10 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 322
dynamicProps in progress

Revision 322 - Directory Listing - [select for diffs]
Modified Sun Feb 13 08:05:33 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 321
more work in dynamicProps

Revision 321 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:25:22 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 320
adding dynamicProps

Revision 320 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:14:59 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 319
adding command line option to DynamicProps

Revision 319 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:13:27 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 318
adding command line option for DynamicProps

Revision 318 - Directory Listing - [select for diffs]
Modified Sun Feb 13 06:57:48 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 317
adding dynamicProps

Revision 317 - Directory Listing - [select for diffs]
Modified Sat Feb 12 20:09:28 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 316
adding SelectionManager.cpp

Revision 316 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:41:02 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 315
adding one more constructor to Snapshot to create customized DataStorage

Revision 315 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:39:03 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 314
adding beginSelected, nextSelected method to SelectionManager

Revision 314 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:37:36 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 313
adding support for physmem

Revision 313 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:35:51 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 312
adding supprot for physmem

Revision 312 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:35:05 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 311
adding physmem

Revision 311 - Directory Listing - [select for diffs]
Modified Thu Feb 10 22:37:21 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 310
more work in StaticProps

Revision 310 - Directory Listing - [select for diffs]
Modified Thu Feb 10 18:14:03 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 309
change the filenames

Revision 309 - Directory Listing - [select for diffs]
Modified Thu Feb 10 14:15:52 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 308
adding GofRAngle

Revision 308 - Directory Listing - [select for diffs]
Modified Wed Feb 9 18:21:19 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 307
remove some useless files

Revision 307 - Directory Listing - [select for diffs]
Modified Wed Feb 9 18:12:47 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 306
staticProps in progress

Revision 306 - Directory Listing - [select for diffs]
Modified Wed Feb 9 17:08:22 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 305
adding GofR

Revision 305 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:39:19 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 304
add getRigidBodyAt  function into Molecule class

Revision 304 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:38:35 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 303
update help info

Revision 303 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:36:32 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 302
support select internal index selection, for example, select DMPC.3

Revision 302 - Directory Listing - [select for diffs]
Modified Mon Feb 7 21:11:22 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 301
update help info for Dump2XYZ

Revision 301 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:39:36 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 300
selection librarys added

Revision 300 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:31:50 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 299
adding Makefile

Revision 299 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:20:57 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 298
issue commented out in wildcards

Revision 298 - Directory Listing - [select for diffs]
Modified Mon Feb 7 20:06:00 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 297
forget to reset the pc which cause reevaluate return NULL

Revision 297 - Directory Listing - [select for diffs]
Modified Mon Feb 7 19:14:26 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 296
fix a bug in determing the global index for rigidbodies

Revision 296 - Directory Listing - [select for diffs]
Modified Mon Feb 7 19:13:43 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 295
minor change in Bitset

Revision 295 - Directory Listing - [select for diffs]
Modified Mon Feb 7 19:13:18 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 294
selection library is working

Revision 294 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:46:10 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 293
remove SelectionVisitor

Revision 293 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:45:48 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 292
IgnoreVisitor and XYZVisitor now use selection library

Revision 292 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:44:15 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 291
adding SelectionManager into SimInfo

Revision 291 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:43:54 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 290
dump2Xyz now take advantage of selection library

Revision 290 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:42:12 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 289
minor change in BitSet

Revision 289 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:41:23 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 288
adding missing implementation

Revision 288 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:39:26 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 287
half of the selection utility is working need to debug within keyword and atomproperty keyword

Revision 287 - Directory Listing - [select for diffs]
Modified Fri Feb 4 05:42:49 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 286
selection library get built

Revision 286 - Directory Listing - [select for diffs]
Modified Fri Feb 4 05:42:30 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 285
fix BitSet

Revision 285 - Directory Listing - [select for diffs]
Modified Fri Feb 4 05:26:30 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 284
remove some useless files

Revision 284 - Directory Listing - [select for diffs]
Modified Fri Feb 4 04:57:04 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 283
adding wildcard class; NameFinder is finished

Revision 283 - Directory Listing - [select for diffs]
Modified Thu Feb 3 23:14:05 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 282
more work in selection library

Revision 282 - Directory Listing - [select for diffs]
Modified Thu Feb 3 14:04:59 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 281
selection in progress

Revision 281 - Directory Listing - [select for diffs]
Modified Wed Feb 2 23:13:11 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 280
selection library in progress, except SelectionEvaluator, other files are compiled

Revision 280 - Directory Listing - [select for diffs]
Modified Wed Feb 2 23:12:01 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 279
adding boost::any

Revision 279 - Directory Listing - [select for diffs]
Modified Wed Feb 2 12:51:25 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 278
add SelectionCompiler.cpp

Revision 278 - Directory Listing - [select for diffs]
Modified Tue Feb 1 22:49:23 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 277
Selection in progress

Revision 277 - Directory Listing - [select for diffs]
Modified Tue Feb 1 06:55:00 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 276
adding selection library

Revision 276 - Directory Listing - [select for diffs]
Modified Wed Jan 26 15:26:47 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 275
forget to add eorWriter

Revision 275 - Directory Listing - [select for diffs]
Modified Wed Jan 26 15:15:09 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 274
(1)Cast wrong atom to DirectionalAtom in GhostTorsion
(2)get the wrong column of electroframe

Revision 274 - Directory Listing - [select for diffs]
Modified Tue Jan 25 21:59:18 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 273
fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp

Revision 273 - Directory Listing - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 272
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

Revision 272 - Directory Listing - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 271
forget to set dipole for lipid head group

Revision 271 - Directory Listing - [select for diffs]
Modified Mon Jan 17 16:58:32 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 270
fix a bug in loading initial extended system parameters

Revision 270 - Directory Listing - [select for diffs]
Modified Mon Jan 17 16:05:30 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 269
forget to set maxIterNum_ in NVT

Revision 269 - Directory Listing - [select for diffs]
Modified Fri Jan 14 22:02:21 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 268
remove WATER.cpp

Revision 268 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:37:28 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 267
sync Makefile

Revision 267 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 266
moved Package variable into subdirectory makefiles to speed up
the building process

Revision 266 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:48:53 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 265
Fixed publication details in banner

Revision 265 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:48:42 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 264
added dummy subroutine to avoid empty unit, synchronized this dummy
routine between C and fortran

Revision 264 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:31:16 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 263
separating modules and C/Fortran interface subroutines

Revision 263 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:15:58 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 262
more fixes for gnugetopt

Revision 262 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:09:26 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 261
fixing for gnugetopt

Revision 261 - Directory Listing - [select for diffs]
Modified Fri Jan 14 16:49:46 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 260
using c library to do conversion instead of using iostream due to a bug in
libstdc++(GCC 3.2)

Revision 260 - Directory Listing - [select for diffs]
Modified Fri Jan 14 02:40:55 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 259
no message

Revision 259 - Directory Listing - [select for diffs]
Modified Fri Jan 14 01:56:04 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 258
fix a bug in global index

Revision 258 - Directory Listing - [select for diffs]
Modified Fri Jan 14 01:04:57 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 257
remove include Integrator.hpp in Minimizer

Revision 257 - Directory Listing - [select for diffs]
Modified Thu Jan 13 22:14:44 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 256
compile getopt and getopt1 if we need to

Revision 256 - Directory Listing - [select for diffs]
Modified Thu Jan 13 21:56:58 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 255
template flags

Revision 255 - Directory Listing - [select for diffs]
Modified Thu Jan 13 21:48:18 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 254
formatting

Revision 254 - Directory Listing - [select for diffs]
Modified Thu Jan 13 21:48:09 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 253
fixed a MakeDir / MkDir problem
added BinDir target

Revision 253 - Directory Listing - [select for diffs]
Modified Thu Jan 13 19:40:37 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 252
port to SGI platform

Revision 252 - Directory Listing - [select for diffs]
Modified Thu Jan 13 18:26:02 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 251
change the order of linking (object file comes first and then follow by user built library)

Revision 251 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:24:55 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 250
remove useless debug info

Revision 250 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:21:42 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 249
minor fix

Revision 249 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:18:54 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 248
missing tab

Revision 248 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:17:02 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 247
missing tab

Revision 247 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:15:37 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 246
LinearVisitor get fixed

Revision 246 - Directory Listing - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 245
merging new_design branch into OOPSE-2.0

Revision 245 - Directory Listing - [select for diffs]
Modified Wed Jan 12 17:25:52 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 244
remove some useless force fields

Revision 244 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:36:50 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 243
adding new format of EAM force field

Revision 243 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:23:42 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 242
rename newDUFF.frc to DUFF2.frc

Revision 242 - Directory Listing - [select for diffs]
Modified Mon Dec 20 20:50:56 2004 UTC (20 years, 4 months ago) by chuckv
Diff to previous 241
Fixed Makefile test bug under OSX and possibly other BSD's, replaced test -f *.mod with ls
function since BSD test apparently doesn't support wildcards.

Revision 241 - Directory Listing - [select for diffs]
Modified Thu Dec 16 19:00:23 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 240
adding new EAM force field files

Revision 240 - Directory Listing - [select for diffs]
Modified Fri Dec 10 18:41:05 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 239
fix another bug in WATER.cpp

Revision 239 - Directory Listing - [select for diffs]
Modified Thu Dec 9 23:09:17 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 238
fix a bug in WATER.cpp when initializing the new Charge AtomType

Revision 238 - Directory Listing - [select for diffs]
Modified Tue Dec 7 14:43:58 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 237
*** empty log message ***

Revision 237 - Directory Listing - [select for diffs]
Modified Tue Dec 7 02:18:54 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 236
merge WATER force field into DUFF

Revision 236 - Directory Listing - [select for diffs]
Modified Tue Dec 7 01:33:42 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 235
change the force constant of bonds

Revision 235 - Directory Listing - [select for diffs]
Modified Sun Dec 5 22:21:55 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 234
minor fix in DUFF

Revision 234 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:12:18 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 233
minor fix in force field file

Revision 233 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:06:11 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 232
minor fix

Revision 232 - Directory Listing - [select for diffs]
Modified Thu Dec 2 23:15:04 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 231
new ForceField format

Revision 231 - Directory Listing - [select for diffs]
Modified Thu Dec 2 03:12:25 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 230
replace misuse of using namespace std in header files

Revision 230 - Directory Listing - [select for diffs]
Modified Wed Dec 1 19:32:45 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 229
fixed a sample

Revision 229 - Directory Listing - [select for diffs]
Modified Wed Dec 1 19:10:51 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 228
spell check

Revision 228 - Directory Listing - [select for diffs]
Modified Mon Nov 29 21:42:52 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 227
add PolynomialTestCase

Revision 227 - Directory Listing - [select for diffs]
Modified Wed Nov 24 19:49:33 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 226
Addint StringTokenizerTestCase

Revision 226 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:20:15 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 225
change Makefile

Revision 225 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:06:34 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 224
improved restraints - mpi should work fine

Revision 224 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:06:14 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 223
improved restraints

Revision 223 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:05:55 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 222
oops...

Revision 222 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:50:17 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 221
Back to normal... Oh... Restraints should work in parallel now

Revision 221 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 220
Improvements to restraints

Revision 220 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:47:47 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 219
just some testing changes, I'll return to the original on next commit

Revision 219 - Directory Listing - [select for diffs]
Modified Fri Nov 19 20:37:11 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 218
new DUFF forcefield

Revision 218 - Directory Listing - [select for diffs]
Modified Thu Nov 18 21:42:31 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 217
adding new format DUFF force field

Revision 217 - Directory Listing - [select for diffs]
Modified Thu Nov 18 15:57:16 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 216
Fixed a mixing list bug that slowed down the force loop

Revision 216 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:48:20 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 215
working sample

Revision 215 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:47:25 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 214
working towards parallel restraints

Revision 214 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:47:05 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 213
Commented out some write statements

Revision 213 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:29 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 212
Got rid of some write statements

Revision 212 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:02 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 211
Fun with ice

Revision 211 - Directory Listing - [select for diffs]
Modified Fri Nov 5 21:45:14 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 210
Added the linear visitor

Revision 210 - Directory Listing - [select for diffs]
Modified Fri Nov 5 21:04:33 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 209
current status of the debugging process

Revision 209 - Directory Listing - [select for diffs]
Modified Fri Nov 5 21:04:12 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 208
included visitors and minimizer

Revision 208 - Directory Listing - [select for diffs]
Modified Fri Nov 5 21:03:47 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 207
new changes

Revision 207 - Directory Listing - [select for diffs]
Modified Thu Nov 4 20:55:01 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 206
time to break SimSetup

Revision 206 - Directory Listing - [select for diffs]
Modified Thu Nov 4 20:51:23 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 205
added new classes in progress

Revision 205 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:22:03 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 204
isLinear and linearAxis are virtual in StuntDouble,
but are implemented by DirectionalAtom and RigidBody
In StuntDouble, they should return false and "-1" but
there should be logic to figure them out in the other
two classes

Revision 204 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:55 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 203
Don't remember what I did

Revision 203 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:37 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 202
Breaky Breaky

Revision 202 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:28 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 201
fixed useXXX in the entry_plug so that it only is
set if the atoms really are in the simulation

Revision 201 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:02 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 200
testing force fields

Revision 200 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:19:54 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 199
testing shapes

Revision 199 - Directory Listing - [select for diffs]
Modified Wed Nov 3 16:08:43 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 198
mess up ......

Revision 198 - Directory Listing - [select for diffs]
Modified Tue Nov 2 15:28:25 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 197
Shapes looks like it's working

Revision 197 - Directory Listing - [select for diffs]
Modified Mon Nov 1 19:57:07 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 196
these core classes get compiled

Revision 196 - Directory Listing - [select for diffs]
Modified Fri Oct 29 22:37:59 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 195
more work on Molecule class

Revision 195 - Directory Listing - [select for diffs]
Modified Fri Oct 29 22:28:45 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 194
still debugging

Revision 194 - Directory Listing - [select for diffs]
Modified Fri Oct 29 22:28:12 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 193
shapes rcut calculator added

Revision 193 - Directory Listing - [select for diffs]
Modified Fri Oct 29 22:27:49 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 192
shorter run

Revision 192 - Directory Listing - [select for diffs]
Modified Fri Oct 29 20:54:04 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 191
rewrite Molecule class.

Revision 191 - Directory Listing - [select for diffs]
Modified Fri Oct 29 16:22:43 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 190
Remove some deprecated files

Revision 190 - Directory Listing - [select for diffs]
Modified Fri Oct 29 16:20:50 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 189
More painful reconstruction is coming !!!

Revision 189 - Directory Listing - [select for diffs]
Modified Thu Oct 28 22:34:01 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 188
More work on StuntDouble, Atom, DirectionalAtom and RigidBody

Revision 188 - Directory Listing - [select for diffs]
Modified Thu Oct 28 22:26:32 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 187
remove old Vector3d.hpp from application/simpleBuilder

Revision 187 - Directory Listing - [select for diffs]
Modified Thu Oct 28 21:42:30 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 186
Minor change in next_combination

Revision 186 - Directory Listing - [select for diffs]
Modified Thu Oct 28 21:28:04 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 185
Done with combination

Revision 185 - Directory Listing - [select for diffs]
Modified Thu Oct 28 21:11:12 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 184
change documentation of next_combination.hpp

Revision 184 - Directory Listing - [select for diffs]
Modified Thu Oct 28 20:41:18 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 183
ReplaceWildCard is working

Revision 183 - Directory Listing - [select for diffs]
Modified Thu Oct 28 20:01:39 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 182
adding replace wildcard function

Revision 182 - Directory Listing - [select for diffs]
Modified Thu Oct 28 19:33:46 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 181
Minor change

Revision 181 - Directory Listing - [select for diffs]
Modified Thu Oct 28 19:06:59 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 180
STL next_permutation like next_combination is working

Revision 180 - Directory Listing - [select for diffs]
Modified Thu Oct 28 17:22:55 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 179
fix of setDipoles

Revision 179 - Directory Listing - [select for diffs]
Modified Thu Oct 28 17:20:22 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 178
forgot to advance lines in the shapeFile

Revision 178 - Directory Listing - [select for diffs]
Modified Thu Oct 28 17:20:10 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 177
forgot the orientation line

Revision 177 - Directory Listing - [select for diffs]
Modified Thu Oct 28 16:56:20 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 176
fixed duplicate declaration foo

Revision 176 - Directory Listing - [select for diffs]
Modified Thu Oct 28 16:55:58 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 175
uncommented .in line

Revision 175 - Directory Listing - [select for diffs]
Modified Thu Oct 28 15:42:17 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 174
next_combination in progress

Revision 174 - Directory Listing - [select for diffs]
Modified Thu Oct 28 15:15:44 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 173
adding next_combination test case

Revision 173 - Directory Listing - [select for diffs]
Modified Thu Oct 28 15:02:54 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 172
STL Compatible combination sequence generator

Revision 172 - Directory Listing - [select for diffs]
Modified Thu Oct 28 06:23:42 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 171
bug fixed in GenerateCombination.hpp

Revision 171 - Directory Listing - [select for diffs]
Modified Thu Oct 28 06:16:45 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 170
a STL next_permutaion like next_combination function.

Revision 170 - Directory Listing - [select for diffs]
Modified Thu Oct 28 03:27:03 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 169
no message

Revision 169 - Directory Listing - [select for diffs]
Modified Thu Oct 28 03:14:11 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 168
ReplaceWildCard(recursive version) is working, need refactoring. An iterative version is on the way

Revision 168 - Directory Listing - [select for diffs]
Modified Thu Oct 28 02:28:03 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 167
ReplaceWildCard in progress

Revision 167 - Directory Listing - [select for diffs]
Modified Thu Oct 28 02:08:11 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 166
Adding Test Case for ReplaceWildCard

Revision 166 - Directory Listing - [select for diffs]
Modified Wed Oct 27 23:17:19 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 165
adding ReplaceWildCard.hpp, need test

Revision 165 - Directory Listing - [select for diffs]
Modified Wed Oct 27 06:25:31 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 164
Adding Generic TupleMatcher, wild char matching is on the way

Revision 164 - Directory Listing - [select for diffs]
Modified Wed Oct 27 06:07:09 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 163
Adding Generic Tuple3 and Tuple4

Revision 163 - Directory Listing - [select for diffs]
Modified Wed Oct 27 03:00:51 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 162
bug fix

Revision 162 - Directory Listing - [select for diffs]
Modified Wed Oct 27 02:20:29 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 161
subclass foo

Revision 161 - Directory Listing - [select for diffs]
Modified Wed Oct 27 02:16:34 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 160
more char* -> string conversion

Revision 160 - Directory Listing - [select for diffs]
Modified Wed Oct 27 00:01:29 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 159
char* -> string

Revision 159 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:25:19 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 158
Making ShapeType into a ShapeAtomType, fixing some isXXX

Revision 158 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:25:02 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 157
define name collision

Revision 157 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:24:52 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 156
forcefield refactoring for shapes

Revision 156 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:24:30 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 155
adding sample shape directory

Revision 155 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:19:22 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 154
DataStorage passes unit test

Revision 154 - Directory Listing - [select for diffs]
Modified Tue Oct 26 18:03:12 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 153
Changes to help advance shapes

Revision 153 - Directory Listing - [select for diffs]
Modified Tue Oct 26 18:02:46 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 152
Changes to Shapes force field reader

Revision 152 - Directory Listing - [select for diffs]
Modified Tue Oct 26 17:28:53 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 151
Snaphot and SnapshotTestCase in progress

Revision 151 - Directory Listing - [select for diffs]
Modified Mon Oct 25 22:46:19 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 150
add getArray function to  RectMatrix and Vector classes

Revision 150 - Directory Listing - [select for diffs]
Modified Mon Oct 25 17:03:56 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 149
adding GenericFactory Test Case. GenericFactory now can bed used to creat
ForcefieldFactory and IntegratorFactory etc.

Revision 149 - Directory Listing - [select for diffs]
Modified Mon Oct 25 04:08:14 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 148
more classes get reconstructed

Revision 148 - Directory Listing - [select for diffs]
Modified Sun Oct 24 07:55:48 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 147
GenericFactory pass unit test

Revision 147 - Directory Listing - [select for diffs]
Modified Sat Oct 23 23:09:46 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 146
Refactoring in progress

Revision 146 - Directory Listing - [select for diffs]
Modified Fri Oct 22 23:09:57 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 145
more work in Snapshot

Revision 145 - Directory Listing - [select for diffs]
Modified Fri Oct 22 23:00:06 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 144
Dear god!  It runs and conserves energy!

Revision 144 - Directory Listing - [select for diffs]
Modified Fri Oct 22 22:54:15 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 143
strDUP not strCOPY

Revision 143 - Directory Listing - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 142
fixey fixey the breakey breakey

Revision 142 - Directory Listing - [select for diffs]
Modified Fri Oct 22 22:53:40 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 141
compiler flags

Revision 141 - Directory Listing - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 140
fixey fixey

Revision 140 - Directory Listing - [select for diffs]
Modified Fri Oct 22 20:22:48 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 139
Added un-busticated fortran files and c/Fortran interfaces

Revision 139 - Directory Listing - [select for diffs]
Modified Fri Oct 22 20:21:36 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 138
More on AtomType and DirectionalAtomType

Revision 138 - Directory Listing - [select for diffs]
Modified Fri Oct 22 14:47:53 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 137
Adding AtomType

Revision 137 - Directory Listing - [select for diffs]
Modified Thu Oct 21 21:31:39 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 136
Snapshot and SnapshotManager in progress

Revision 136 - Directory Listing - [select for diffs]
Modified Thu Oct 21 21:30:34 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 135
adding test case for Snapshot and snapshotManager.

Revision 135 - Directory Listing - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 134
Breaky Breaky.   Fixey Fixey.

Revision 134 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:32:06 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 133
remove some junk files

Revision 133 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:24:32 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 132
remove backup of  GenericData.hpp

Revision 132 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 131
replace old GebericData with  new GenericData

Revision 131 - Directory Listing - [select for diffs]
Modified Thu Oct 21 15:25:30 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 130
Added newLJtype to lj module.

Revision 130 - Directory Listing - [select for diffs]
Modified Thu Oct 21 15:24:55 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 129
Added interface for fortran lj module.

Revision 129 - Directory Listing - [select for diffs]
Modified Wed Oct 20 22:54:30 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 128
GenericData and PropertyMap  pass unit test.

Revision 128 - Directory Listing - [select for diffs]
Modified Wed Oct 20 21:52:20 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 127
fixed a fortran name problem

Revision 127 - Directory Listing - [select for diffs]
Modified Wed Oct 20 21:38:17 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 126
adding generic data test case

Revision 126 - Directory Listing - [select for diffs]
Modified Wed Oct 20 21:16:01 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 125
Fortran/C++ interface de-obfuscation project appears to be complete!  Woo hoo!

Revision 125 - Directory Listing - [select for diffs]
Modified Wed Oct 20 20:47:55 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 124
Fortran/C++ interface de-obfuscation project continues

Revision 124 - Directory Listing - [select for diffs]
Modified Wed Oct 20 20:46:20 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 123
Fortran/C++ interface de-obfuscation project (It is a very long story)

Revision 123 - Directory Listing - [select for diffs]
Modified Wed Oct 20 18:07:08 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 122
Math library pass the unit test

Revision 122 - Directory Listing - [select for diffs]
Modified Wed Oct 20 05:52:25 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 121
Snapshot and SnapshotManager in design phase

Revision 121 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:55:21 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 120
namespace problem prevented linking

Revision 120 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:54:23 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 119
fixed include

Revision 119 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:26:44 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 118
more fortran name mangling

Revision 118 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:23:11 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 117
yet more fortran renaming

Revision 117 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:19:55 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 116
Fortran name cleanup continues

Revision 116 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:12:01 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 115
fixing some broken fortran stuff

Revision 115 - Directory Listing - [select for diffs]
Modified Wed Oct 20 04:02:48 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 114
name sanity on the fortran side

Revision 114 - Directory Listing - [select for diffs]
Modified Wed Oct 20 00:18:13 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 113
*** empty log message ***

Revision 113 - Directory Listing - [select for diffs]
Modified Tue Oct 19 23:01:03 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 112
except diagonalize(), all of functions in math library pass the test

Revision 112 - Directory Listing - [select for diffs]
Modified Tue Oct 19 22:43:41 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 111
Added correct prototypes for C-fortran interface functions.

Revision 111 - Directory Listing - [select for diffs]
Modified Tue Oct 19 22:37:55 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 110
Added correct prototypes for C-fortran interface functions.

Revision 110 - Directory Listing - [select for diffs]
Modified Tue Oct 19 21:28:55 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 109
more bugs get fixed at math library

Revision 109 - Directory Listing - [select for diffs]
Modified Tue Oct 19 20:44:36 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 108
Added new files for fortran interface.

Revision 108 - Directory Listing - [select for diffs]
Modified Tue Oct 19 20:43:05 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 107
regressing

Revision 107 - Directory Listing - [select for diffs]
Modified Tue Oct 19 20:40:30 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 106
working on shapes for portability

Revision 106 - Directory Listing - [select for diffs]
Modified Tue Oct 19 20:40:17 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 105
working on shapes

Revision 105 - Directory Listing - [select for diffs]
Modified Tue Oct 19 18:21:25 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 104
changed around findBegin

Revision 104 - Directory Listing - [select for diffs]
Modified Tue Oct 19 04:34:35 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 103
more bugs are fixed in Vector class

Revision 103 - Directory Listing - [select for diffs]
Modified Tue Oct 19 04:28:15 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 102
fix some bugs in RectMatrixTestCase

Revision 102 - Directory Listing - [select for diffs]
Modified Tue Oct 19 04:21:07 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 101
implement more test cases

Revision 101 - Directory Listing - [select for diffs]
Modified Mon Oct 18 23:13:23 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 100
more tests on math library

Revision 100 - Directory Listing - [select for diffs]
Modified Mon Oct 18 21:03:15 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 99
adding more testing units

Revision 99 - Directory Listing - [select for diffs]
Modified Mon Oct 18 17:07:27 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 98
fix some bugs in Quaternion class

Revision 98 - Directory Listing - [select for diffs]
Modified Mon Oct 18 16:30:04 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 97
Your basic run of the mill real-valued versions of Y_l^m(\theta, \phi)

Revision 97 - Directory Listing - [select for diffs]
Modified Mon Oct 18 16:29:53 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 96
Working on getting Shapes into OOPSE

Revision 96 - Directory Listing - [select for diffs]
Modified Mon Oct 18 15:21:00 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 95
Added ShapeType

Revision 95 - Directory Listing - [select for diffs]
Modified Mon Oct 18 05:23:47 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 94
adding  vector test case

Revision 94 - Directory Listing - [select for diffs]
Modified Mon Oct 18 05:23:21 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 93
adding generic factory and vector test case

Revision 93 - Directory Listing - [select for diffs]
Modified Sun Oct 17 01:19:11 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 92
math library in progress

Revision 92 - Directory Listing - [select for diffs]
Modified Sat Oct 16 01:31:28 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 91
add quaternion class

Revision 91 - Directory Listing - [select for diffs]
Modified Fri Oct 15 21:11:35 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 90
adding test file

Revision 90 - Directory Listing - [select for diffs]
Modified Fri Oct 15 21:10:50 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 89
fix a bunch of bugs

Revision 89 - Directory Listing - [select for diffs]
Modified Fri Oct 15 20:42:25 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 88
change const_cast to statc_const

Revision 88 - Directory Listing - [select for diffs]
Modified Fri Oct 15 20:35:01 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 87
fix a bug in basic_ifstrstream.hpp

Revision 87 - Directory Listing - [select for diffs]
Modified Fri Oct 15 20:34:21 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 86
forget to use namespace oopse

Revision 86 - Directory Listing - [select for diffs]
Modified Fri Oct 15 19:38:12 2004 UTC (20 years, 6 months ago) by chuckv
Diff to previous 85
Changed optimization flags for XLF and XLC.

Revision 85 - Directory Listing - [select for diffs]
Modified Fri Oct 15 18:28:46 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 84
adding ifstrstream test case

Revision 84 - Directory Listing - [select for diffs]
Modified Fri Oct 15 18:20:44 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 83
fix include

Revision 83 - Directory Listing - [select for diffs]
Modified Fri Oct 15 18:18:12 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 82
fix incompatible declaration in jacobi

Revision 82 - Directory Listing - [select for diffs]
Modified Fri Oct 15 18:17:00 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 81
adding Makefile

Revision 81 - Directory Listing - [select for diffs]
Modified Fri Oct 15 18:16:04 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 80
adding test case for ifstrstream

Revision 80 - Directory Listing - [select for diffs]
Modified Fri Oct 15 15:37:40 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 79
add ifstrstreamTestCase

Revision 79 - Directory Listing - [select for diffs]
Modified Fri Oct 15 15:20:14 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 78
add checkFilename Option

Revision 78 - Directory Listing - [select for diffs]
Modified Fri Oct 15 15:19:28 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 77
add SquareMatrixTestCase class

Revision 77 - Directory Listing - [select for diffs]
Modified Fri Oct 15 07:52:47 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 76
adding basic_ifstrstream

Revision 76 - Directory Listing - [select for diffs]
Modified Thu Oct 14 23:28:09 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 75
math library in progress

Revision 75 - Directory Listing - [select for diffs]
Modified Thu Oct 14 23:27:31 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 74
FileReader in progress

Revision 74 - Directory Listing - [select for diffs]
Modified Wed Oct 13 23:53:40 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 73
Matrix in progress, test in isOrthogonal of SquareMatrix is failed by some reasons

Revision 73 - Directory Listing - [select for diffs]
Modified Wed Oct 13 22:28:51 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 72
adding PropertyMap class

Revision 72 - Directory Listing - [select for diffs]
Modified Wed Oct 13 22:27:58 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 71
adding testing unit

Revision 71 - Directory Listing - [select for diffs]
Modified Wed Oct 13 22:24:59 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 70
adding RectMatrix

Revision 70 - Directory Listing - [select for diffs]
Modified Wed Oct 13 06:51:09 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 69
refactory vector and matrix classes

Revision 69 - Directory Listing - [select for diffs]
Modified Wed Oct 13 06:50:05 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 68
Remove some Makefile.in

Revision 68 - Directory Listing - [select for diffs]
Modified Tue Oct 12 23:57:40 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 67
add Vector3d.hpp and  Matrix3x3d.hpp

Revision 67 - Directory Listing - [select for diffs]
Modified Tue Oct 12 19:08:46 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 66
adding c++ coding style

Revision 66 - Directory Listing - [select for diffs]
Modified Mon Oct 11 22:15:56 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 65
change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp

Revision 65 - Directory Listing - [select for diffs]
Modified Mon Oct 11 21:54:35 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 64
fix a bug in filepp

Revision 64 - Directory Listing - [select for diffs]
Modified Mon Oct 11 21:13:46 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 63
using filepp to generate dependencies instead of compilers

Revision 63 - Directory Listing - [select for diffs]
Modified Mon Oct 11 21:10:28 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 62
filepp can be used to generate dependencies for c/c++ now

Revision 62 - Directory Listing - [select for diffs]
Modified Mon Oct 11 18:40:22 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 61
remove -module from F90Options

Revision 61 - Directory Listing - [select for diffs]
Modified Mon Oct 11 18:01:51 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 60
adding rules to move fortran 90 module to target directory

Revision 60 - Directory Listing - [select for diffs]
Modified Mon Oct 11 15:43:16 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 59
fixed makefile.in

Revision 59 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:51:57 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 58
remove "use bytes" which causes problem in sgi machine

Revision 58 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:26:10 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 57
add Makefile

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 56
fix Makefile under water directory

Revision 56 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:14 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 55
remove argon.dump and argon.eor from Makefile

Revision 55 - Directory Listing - [select for diffs]
Modified Sat Oct 9 06:01:55 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 54
Remove some Makefile.in

Revision 54 - Directory Listing - [select for diffs]
Modified Fri Oct 8 23:15:07 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 53
*** empty log message ***

Revision 53 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:51:06 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 52
fix make install

Revision 52 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:10:22 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 51
adding make install

Revision 51 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 50
add Makefile to sample directory

Revision 50 - Directory Listing - [select for diffs]
Modified Wed Oct 6 23:03:54 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 49
moved the getopt stuff

Revision 49 - Directory Listing - [select for diffs]
Modified Wed Oct 6 23:03:34 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 48
more build fixes

Revision 48 - Directory Listing - [select for diffs]
Modified Wed Oct 6 22:20:47 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 47
adding doxygen configuration file

Revision 47 - Directory Listing - [select for diffs]
Modified Wed Oct 6 22:19:33 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 46
filepp can handle different fortran module case and suffix

Revision 46 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:27:21 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 45
Chris doesn't know about the OOPSE-2.0 directory structure yet

Revision 45 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:27:02 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 44
Yeah yeah, we'lll get around to it later

Revision 44 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:22:43 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 43
cleaning up build process

Revision 43 - Directory Listing - [select for diffs]
Modified Wed Oct 6 20:01:07 2004 UTC (20 years, 7 months ago) by chrisfen
Diff to previous 42
made the file reading in restraints more intelligent - no longer gives uninformative seg faults

Revision 42 - Directory Listing - [select for diffs]
Modified Wed Oct 6 19:55:43 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 41
cleaning up

Revision 41 - Directory Listing - [select for diffs]
Modified Wed Oct 6 19:51:54 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 40
Cleaning up a bit

Revision 40 - Directory Listing - [select for diffs]
Modified Wed Oct 6 18:53:05 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 39
fix make statistics

Revision 39 - Directory Listing - [select for diffs]
Modified Wed Oct 6 18:18:47 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 38
adding GNU make functions to combine all of the static libraries to a big library

Revision 38 - Directory Listing - [select for diffs]
Modified Tue Oct 5 22:57:01 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 37
 adding shared library flag

Revision 37 - Directory Listing - [select for diffs]
Modified Tue Oct 5 19:37:38 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 36
move mpiSimulation_module to DarkSide

Revision 36 - Directory Listing - [select for diffs]
Modified Tue Oct 5 19:35:59 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 35
building MPI version;using static library instead of shared library

Revision 35 - Directory Listing - [select for diffs]
Modified Tue Oct 5 14:14:46 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 34
pass __FORTRAN90 instead of __F90 to filepp

Revision 34 - Directory Listing - [select for diffs]
Modified Mon Oct 4 20:56:51 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 33
add make cvslog

Revision 33 - Directory Listing - [select for diffs]
Modified Mon Oct 4 16:24:39 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 32
more work on the parallel build

Revision 32 - Directory Listing - [select for diffs]
Modified Mon Oct 4 16:06:18 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 31
changes to backport declare flags

Revision 31 - Directory Listing - [select for diffs]
Modified Mon Oct 4 15:27:35 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 30
Started work merging shapes

Revision 30 - Directory Listing - [select for diffs]
Modified Sat Oct 2 04:40:48 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 29
remove sfmakedepend from cvs tree

Revision 29 - Directory Listing - [select for diffs]
Modified Sat Oct 2 04:22:07 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 28
add oopse_ as library prefix

Revision 28 - Directory Listing - [select for diffs]
Modified Fri Oct 1 21:59:28 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 27
fix a space trimming bug in filepp

Revision 27 - Directory Listing - [select for diffs]
Modified Fri Oct 1 21:22:27 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 26
A few minor build changes

Revision 26 - Directory Listing - [select for diffs]
Modified Fri Oct 1 21:11:29 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 25
adding fortran90 make dependency tool

Revision 25 - Directory Listing - [select for diffs]
Modified Thu Sep 30 15:41:35 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 24
make clean is smart enough to only remove object files belong to current package.
turn off silent mode

Revision 24 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 23
define DEV_ROOT as relative path

Revision 23 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:54:03 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 22
get the relative path by shell script

Revision 22 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:32:39 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 21
eliminate DEV_ROOT by relative path

Revision 21 - Directory Listing - [select for diffs]
Modified Wed Sep 29 18:37:08 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 20
add PackageLibs;  fix dependency rule

Revision 20 - Directory Listing - [select for diffs]
Modified Wed Sep 29 17:57:47 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 19
updates

Revision 19 - Directory Listing - [select for diffs]
Modified Wed Sep 29 17:56:08 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 18
Working on make stuff

Revision 18 - Directory Listing - [select for diffs]
Modified Wed Sep 29 17:46:15 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 17
If makefile does not exist, print error message

Revision 17 - Directory Listing - [select for diffs]
Modified Wed Sep 29 17:12:15 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 16
fix dependencies rule

Revision 16 - Directory Listing - [select for diffs]
Modified Wed Sep 29 15:58:18 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 15
still working on build process

Revision 15 - Directory Listing - [select for diffs]
Modified Wed Sep 29 15:00:33 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 14
add print statment to rules

Revision 14 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 13
change Makefile to relative path

Revision 13 - Directory Listing - [select for diffs]
Modified Wed Sep 29 02:55:43 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 12
remove StringUtils.c which cause headache in bulding libutils

Revision 12 - Directory Listing - [select for diffs]
Modified Tue Sep 28 23:24:25 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 11
change directory structure of application. Every executable file is replaced in seperate directory

Revision 11 - Directory Listing - [select for diffs]
Modified Tue Sep 28 22:15:04 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 10
Keep that lib around, please.

Revision 10 - Directory Listing - [select for diffs]
Modified Tue Sep 28 22:14:11 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 9
starting a configure version

Revision 9 - Directory Listing - [select for diffs]
Modified Tue Sep 28 21:08:18 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 8
move fortran files around to solve dependency problem

Revision 8 - Directory Listing - [select for diffs]
Modified Tue Sep 28 20:44:02 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 7
*** empty log message ***

Revision 7 - Directory Listing - [select for diffs]
Modified Tue Sep 28 20:42:28 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 6
fix fortran dependency problem

Revision 6 - Directory Listing - [select for diffs]
Modified Tue Sep 28 16:14:17 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 5
add yacc and lex rules

Revision 5 - Directory Listing - [select for diffs]
Modified Mon Sep 27 20:24:15 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 4
adding include path to F90Options

Revision 4 - Directory Listing - [select for diffs]
Modified Mon Sep 27 20:13:04 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 3
change suffix from .cc to .cpp

Revision 3 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 2
change the #include in source files

Revision 2 - Directory Listing - [select for diffs]
Modified Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 1
Import of OOPSE v. 2.0

Revision 1 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by (unknown author)
Standard project directories initialized by cvs2svn.

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