[ViewVC] Log of: OpenMD/branches/development/src/brains/ForceManager.cpp

Revision 1587 - (view) (annotate) - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 9 months ago) by gezelter
File length: 27849 byte(s)
Diff to previous 1584

Fixes

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Modified Fri Jun 17 20:16:35 2011 UTC (13 years, 10 months ago) by gezelter
File length: 27497 byte(s)
Diff to previous 1583

bug fixes.

Revision 1583 - (view) (annotate) - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (13 years, 10 months ago) by gezelter
File length: 27401 byte(s)
Diff to previous 1581

Bug squashing

Revision 1581 - (view) (annotate) - [select for diffs]
Modified Mon Jun 13 22:13:12 2011 UTC (13 years, 10 months ago) by gezelter
File length: 26997 byte(s)
Diff to previous 1579

bug fixes

Revision 1579 - (view) (annotate) - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 10 months ago) by gezelter
File length: 27273 byte(s)
Diff to previous 1577

bug fixes (not done yet)

Revision 1577 - (view) (annotate) - [select for diffs]
Modified Wed Jun 8 20:26:56 2011 UTC (13 years, 10 months ago) by gezelter
File length: 26629 byte(s)
Diff to previous 1576

bug fixes

Revision 1576 - (view) (annotate) - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 10 months ago) by gezelter
File length: 26425 byte(s)
Diff to previous 1575

migrating cutoff information from InteractionManager to ForceManager

Revision 1575 - (view) (annotate) - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (13 years, 10 months ago) by gezelter
File length: 18204 byte(s)
Diff to previous 1571

more parallel fixes

Revision 1571 - (view) (annotate) - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
File length: 18402 byte(s)
Diff to previous 1570

Added Atypes to new C++ force decomposition.

Revision 1570 - (view) (annotate) - [select for diffs]
Modified Thu May 26 21:56:04 2011 UTC (13 years, 11 months ago) by gezelter
File length: 18483 byte(s)
Diff to previous 1569

More fixes

Revision 1569 - (view) (annotate) - [select for diffs]
Modified Thu May 26 13:55:04 2011 UTC (13 years, 11 months ago) by gezelter
File length: 18770 byte(s)
Diff to previous 1554

A few more fixes for the missing routines

Revision 1554 - (view) (annotate) - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
File length: 18763 byte(s)
Diff to previous 1551

For efficiency, pointers instead of objects will be passed during main
force loop.

Revision 1551 - (view) (annotate) - [select for diffs]
Modified Thu Apr 28 18:38:21 2011 UTC (14 years ago) by gezelter
File length: 18663 byte(s)
Diff to previous 1550

More changes for parallel

Revision 1550 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 21:49:59 2011 UTC (14 years ago) by gezelter
File length: 18663 byte(s)
Diff to previous 1549

more fortran removal

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Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
File length: 18554 byte(s)
Diff to previous 1546

a few more tweaks   We're getting somewhat closer to deleting fortran.

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Modified Sun Apr 10 15:16:39 2011 UTC (14 years ago) by gezelter
File length: 18393 byte(s)
Diff to previous 1545

closer to a real force loop

Revision 1545 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
File length: 18356 byte(s)
Diff to previous 1544

still busted, but much progress

Revision 1544 - (view) (annotate) - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 1 month ago) by gezelter
File length: 12982 byte(s)
Diff to previous 1540

More modifications for paralllel rewrite

Revision 1540 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 21:34:36 2011 UTC (14 years, 3 months ago) by gezelter
File length: 12449 byte(s)
Diff to previous 1535

changes for new parallel architecture

Revision 1535 - (view) (annotate) - [select for diffs]
Modified Fri Dec 31 18:31:56 2010 UTC (14 years, 4 months ago) by gezelter
File length: 12433 byte(s)
Diff to previous 1503

Well, it compiles and builds, but still has a bus error at runtime.

Revision 1503 - (view) (annotate) - [select for diffs]
Modified Sat Oct 2 19:54:41 2010 UTC (14 years, 7 months ago) by gezelter
File length: 12336 byte(s)
Diff to previous 1489

Changes to remove more of the low level stuff from the fortran side.

Revision 1489 - (view) (annotate) - [select for diffs]
Modified Tue Aug 10 18:34:59 2010 UTC (14 years, 8 months ago) by gezelter
File length: 13122 byte(s)
Diff to previous 1485

Migrating Sutton-Chen from Fortran over to C++

Revision 1485 - (view) (annotate) - [select for diffs]
Modified Wed Jul 28 19:52:00 2010 UTC (14 years, 9 months ago) by gezelter
File length: 13047 byte(s)
Diff to previous 1483

Converting Sticky over to C++

Revision 1483 - (view) (annotate) - [select for diffs]
Modified Tue Jul 27 21:17:31 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12960 byte(s)
Diff to previous 1480

Added GB module to the C++ side, got rid of it on the fortran side.

Revision 1480 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:50:53 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12885 byte(s)
Diff to previous 1470

no longer segfaults

Revision 1470 - (view) (annotate) - [select for diffs]
Modified Mon Jul 19 18:48:23 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12807 byte(s)
Diff to previous 1469

builds

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Modified Mon Jul 19 14:07:59 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12938 byte(s)
Diff to previous 1467

attempts at c++->fortran linkage.  Still busticated.

Revision 1467 - (view) (annotate) - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12726 byte(s)
Diff to previous 1465

well, it compiles, but still segfaults

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 12586 byte(s)
Diff to previous 1464

Creating busticated version of OpenMD

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12586 byte(s)
Diff to previous 1448

removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers

Revision 1448 - (view) (annotate) - [select for diffs]
Modified Thu Jun 17 14:58:49 2010 UTC (14 years, 10 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 13033 byte(s)
Diff to previous 1442

mostly whitespace issues

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 13023 byte(s)
Diff to previous 1390

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 13023 byte(s)
Diff to previous 1292

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1292 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 20:51:22 2008 UTC (16 years, 7 months ago) by chuckv
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12979 byte(s)
Diff to previous 1275

fixed thermo bug

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12973 byte(s)
Diff to previous 1245

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
Original Path: trunk/src/brains/ForceManager.cpp
File length: 11528 byte(s)
Diff to previous 1215

Checking in changes for Hefland moment calculations

Revision 1215 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:22:37 2008 UTC (17 years, 3 months ago) by xsun
Original Path: trunk/src/brains/ForceManager.cpp
File length: 11395 byte(s)
Diff to previous 1126

fixed printing of memory available

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 11269 byte(s)
Diff to previous 998

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12978 byte(s)
Diff to previous 963

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12588 byte(s)
Diff to previous 776

Adding single precision capabilities to c++ side

Revision 776 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 20:10:49 2005 UTC (19 years, 5 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12556 byte(s)
Diff to previous 770

Got rid of spurious printing out of junk

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12619 byte(s)
Diff to previous 749

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 5 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 12663 byte(s)
Diff to previous 691

OptionSectionParser get compiled

Revision 691 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/src/brains/ForceManager.cpp
File length: 8754 byte(s)
Diff to previous 688

Still had some globals toUpper problems - these changes should fix those...

Revision 688 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 16:49:59 2005 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 8753 byte(s)
Diff to previous 681

fix an index mismathcing between c and fortran

Revision 681 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 8752 byte(s)
Diff to previous 665

Customized StatWriter is working

Revision 665 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/brains/ForceManager.cpp
File length: 8565 byte(s)
Diff to previous 664

rewrite Globals

Revision 664 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:57:16 2005 UTC (19 years, 6 months ago) by chuckv
Original Path: trunk/src/brains/ForceManager.cpp
File length: 7794 byte(s)
Diff to previous 645

Fix to forceManager to pass potential array to fortran.

Revision 645 - (view) (annotate) - [select for diffs]
Modified Tue Oct 4 19:34:03 2005 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/src/brains/ForceManager.cpp
File length: 7432 byte(s)
Diff to previous 507

fixed an annoying mass ratio bug that results in simulation failure with massless particles

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 7435 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

Revision 246 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.cpp
File length: 7657 byte(s)

merging new_design branch into OOPSE-2.0

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