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root/OpenMD/trunk/src/io/Globals.cpp
Revision 1032 - (view) (annotate) - [select for diffs]
Modified Fri Sep 1 19:16:02 2006 UTC (18 years, 8 months ago) by gezelter
File length: 11861 byte(s)
Diff to previous 1024 
adding NgammaT integrator
Revision 1024 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 11801 byte(s)
Diff to previous 1023 
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
Revision 1023 - (view) (annotate) - [select for diffs]
Modified Thu Aug 24 17:42:35 2006 UTC (18 years, 8 months ago) by xsun
File length: 11748 byte(s)
Diff to previous 998 
change the globals.cpp to make sure we can set targetPressure and surfaceTension to be negative.
Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 11740 byte(s)
Diff to previous 979 
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision 979 - (view) (annotate) - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (18 years, 11 months ago) by chrisfen
File length: 11646 byte(s)
Diff to previous 945 
Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)
Revision 945 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years ago) by gezelter
File length: 11643 byte(s)
Diff to previous 927 
Adding spherical boundary conditions to LD integrator
Revision 927 - (view) (annotate) - [select for diffs]
Modified Fri Mar 31 18:09:22 2006 UTC (19 years, 1 month ago) by tim
File length: 11221 byte(s)
Diff to previous 906 
NPrT might work now
Revision 906 - (view) (annotate) - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 1 month ago) by tim
File length: 11190 byte(s)
Diff to previous 895 
refactor Hydrodynamics module.
Revision 895 - (view) (annotate) - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (19 years, 1 month ago) by tim
File length: 11002 byte(s)
Diff to previous 867 
LangevinDynamics in progress
Revision 867 - (view) (annotate) - [select for diffs]
Modified Fri Jan 13 21:57:48 2006 UTC (19 years, 3 months ago) by chuckv
File length: 10902 byte(s)
Diff to previous 866 
Removed MixingRule from Globals. Handled by forceField now.
Revision 866 - (view) (annotate) - [select for diffs]
Modified Fri Jan 13 19:17:34 2006 UTC (19 years, 3 months ago) by chuckv
File length: 11016 byte(s)
Diff to previous 850 
Added NPAT to Globals integrators.
Revision 850 - (view) (annotate) - [select for diffs]
Modified Thu Jan 12 14:31:33 2006 UTC (19 years, 3 months ago) by tim
File length: 10986 byte(s)
Diff to previous 849 
filepp can not handle multiple line macro, just convert multiple line macro into single line macro.
Revision 849 - (view) (annotate) - [select for diffs]
Modified Thu Jan 12 04:13:46 2006 UTC (19 years, 3 months ago) by chrisfen
File length: 11280 byte(s)
Diff to previous 845 
Made some changes to electrostatics for shifted-potential and shifted-force with mono and multipoles
Revision 845 - (view) (annotate) - [select for diffs]
Modified Wed Jan 11 19:01:20 2006 UTC (19 years, 3 months ago) by tim
File length: 11220 byte(s)
Diff to previous 816 
instead of printing to std::cout, throwing an exception when error is found.
Revision 816 - (view) (annotate) - [select for diffs]
Modified Fri Dec 16 18:26:41 2005 UTC (19 years, 4 months ago) by tim
File length: 11053 byte(s)
Diff to previous 789 
the standard library came with SUN compiler does not have a conforming std::use_facet, define a macro
to handle it. Adding exception handling to SimCreator.
Revision 789 - (view) (annotate) - [select for diffs]
Modified Mon Dec 5 23:37:56 2005 UTC (19 years, 4 months ago) by tim
File length: 10929 byte(s)
Diff to previous 770 
Fix parsing error in OptionSectionParser
Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 10822 byte(s)
Diff to previous 765 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision 765 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:36 2005 UTC (19 years, 5 months ago) by gezelter
File length: 16496 byte(s)
Diff to previous 749 
parsing by filepp
Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 5 months ago) by tim
File length: 16555 byte(s)
Diff to previous 748 
OptionSectionParser get compiled
Revision 748 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 21:37:45 2005 UTC (19 years, 5 months ago) by chuckv
File length: 16245 byte(s)
Diff to previous 726 
ForceField optional parameters....
Revision 726 - (view) (annotate) - [select for diffs]
Modified Fri Nov 11 15:22:11 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 17295 byte(s)
Diff to previous 721 
added in a 5th order polynomial switching function option
Revision 721 - (view) (annotate) - [select for diffs]
Modified Tue Nov 8 13:32:27 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 17103 byte(s)
Diff to previous 716 
Added a keyword and ability to output forces and torques
Revision 716 - (view) (annotate) - [select for diffs]
Modified Thu Nov 3 23:12:27 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 17021 byte(s)
Diff to previous 710 
improvements in shifted-force
Revision 710 - (view) (annotate) - [select for diffs]
Modified Wed Nov 2 20:36:25 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 16979 byte(s)
Diff to previous 705 
changing how we deal with summation and screening methods
Revision 705 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:14:27 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 16786 byte(s)
Diff to previous 681 
fixed a capitalization problem with NPT integrator initialization
Revision 681 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 6 months ago) by tim
File length: 16787 byte(s)
Diff to previous 674 
Customized StatWriter is working
Revision 674 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 03:06:29 2005 UTC (19 years, 6 months ago) by tim
File length: 16670 byte(s)
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 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 00:51:16 2005 UTC (19 years, 6 months ago) by tim
File length: 16177 byte(s)
Diff to previous 672 
Change error message in Globals
Revision 672 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 21:43:13 2005 UTC (19 years, 6 months ago) by tim
File length: 15964 byte(s)
Diff to previous 666 
Constraints for parameters are working now
Revision 666 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 12338 byte(s)
Diff to previous 665 
added default restraint spring constants into Globals
Revision 665 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
File length: 12033 byte(s)
Diff to previous 629 
rewrite Globals
Revision 629 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 15:58:17 2005 UTC (19 years, 7 months ago) by chuckv
File length: 56090 byte(s)
Diff to previous 609 
Added support for skinThickness keyword to Globals.
Revision 609 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 23:04:47 2005 UTC (19 years, 7 months ago) by chuckv
File length: 55264 byte(s)
Diff to previous 603 
Added keywords for compressed dump files.
Revision 603 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 16:07:39 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 54259 byte(s)
Diff to previous 598 
some fixes but even more breaking (cutting out the old way to do reaction field)
Revision 598 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:14:35 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 54843 byte(s)
Diff to previous 586 
changes to include the coulombicCorrection selector
Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (19 years, 7 months ago) by gezelter
File length: 54435 byte(s)
Diff to previous 580 
adding c-side interface to change cutoff Policy
Revision 580 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (19 years, 8 months ago) by chrisfen
File length: 53560 byte(s)
Diff to previous 541 
made some changes for implementing the wolf potential
Revision 541 - (view) (annotate) - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (19 years, 11 months ago) by tim
File length: 52071 byte(s)
Diff to previous 539 
adding keyword printPressureTensor
Revision 539 - (view) (annotate) - [select for diffs]
Modified Fri May 20 16:01:38 2005 UTC (19 years, 11 months ago) by tim
File length: 51107 byte(s)
Diff to previous 538 
NPrT in progress
Revision 538 - (view) (annotate) - [select for diffs]
Modified Thu May 19 21:31:23 2005 UTC (19 years, 11 months ago) by tim
File length: 51105 byte(s)
Diff to previous 537 
NPAT is working
Revision 537 - (view) (annotate) - [select for diffs]
Modified Thu May 19 15:49:53 2005 UTC (19 years, 11 months ago) by tim
File length: 51083 byte(s)
Diff to previous 536 
fix bug in NPAT and NPrT
Revision 536 - (view) (annotate) - [select for diffs]
Modified Thu May 19 04:28:26 2005 UTC (19 years, 11 months ago) by tim
File length: 51095 byte(s)
Diff to previous 507 
adding NPAT and NPrT integrators
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 50147 byte(s)
Diff to previous 425 
xemacs has been drafted to perform our indentation services
Revision 425 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 20:28:17 2005 UTC (20 years, 1 month ago) by tim
File length: 50167 byte(s)
Diff to previous 417 
using map to replace link list
Revision 417 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 49791 byte(s)
Diff to previous 404 
First commit of the new restraints code
Revision 404 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:07:14 2005 UTC (20 years, 1 month ago) by gezelter
File length: 46958 byte(s)
Diff to previous 273 
Dunno
Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
File length: 46959 byte(s)
Diff to previous 246 
(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 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 46427 byte(s)
Diff to previous 3 
merging new_design branch into OOPSE-2.0
Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
File length: 44315 byte(s)
Diff to previous 2 
change the #include in source files
Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
File length: 44303 byte(s) 
Import of OOPSE v. 2.0

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