Revision 1135 - (view) (annotate) - [select for diffs]
Modified Mon Apr 26 21:16:07 2004 UTC (21 years ago) by mmeineke
File length: 38497 byte(s)
Diff to previous 1099

modified the defaults for the system init time and system init state.

Changes for RigidBody dynamics

Revision 1093 - (view) (annotate) - [select for diffs]
Modified Wed Mar 17 14:22:59 2004 UTC (21 years, 1 month ago) by tim
File length: 38257 byte(s)
Diff to previous 1091

incorporate SMD into ZConstraint,it does not sound a good choice, next commit will seperate SMD and ZConstraint

ZConstraint now can support sequential moving. Refactorying is needed to support SMD in ZConstraint

Revision 1066 - (view) (annotate) - [select for diffs]
Modified Tue Feb 24 16:36:33 2004 UTC (21 years, 2 months ago) by tim
File length: 35992 byte(s)
Diff to previous 1035

*** empty log message ***

Single version of energy minimization for argon is working, need to add constraint

Revision 1031 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 18:58:06 2004 UTC (21 years, 2 months ago) by tim
File length: 35961 byte(s)
Diff to previous 957

Add some lines into global.cpp to make it work with energy minimization

BASS changes to add RigidBodies and LJrcut

Revision 855 - (view) (annotate) - [select for diffs]
Modified Thu Nov 6 22:01:37 2003 UTC (21 years, 5 months ago) by mmeineke
File length: 28927 byte(s)
Diff to previous 828

added the following parameters to BASS:
   * useInitialExtendedSystemState
   * orthoBoxTolerance
   * useIntiTime => useInitialTime

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes

Revision 811 - (view) (annotate) - [select for diffs]
Modified Tue Oct 21 19:33:19 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 27497 byte(s)
Diff to previous 747

added useInitTime to the BASS syntax.
   * useInitTime = false: sets the origin time to 0.0 regardless of the time stamp in the .init file
   * default=> useInitTime = true;

Changes to autoconf / configure method of configuring OOPSE

Revision 745 - (view) (annotate) - [select for diffs]
Modified Thu Sep 4 21:48:07 2003 UTC (21 years, 7 months ago) by mmeineke
File length: 26802 byte(s)
Diff to previous 704

added resetTime to the Global namespace.

bug fixed in ghost bend class

Revision 699 - (view) (annotate) - [select for diffs]
Modified Fri Aug 15 19:24:13 2003 UTC (21 years, 8 months ago) by tim
File length: 25523 byte(s)
Diff to previous 693

Tested MPI version of Z-Constraint Method

harmonic potential & z-contraint method

Revision 689 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 19:56:49 2003 UTC (21 years, 8 months ago) by tim
File length: 24746 byte(s)
Diff to previous 682

debugging globals

added harmonical potential to z-constraint method

Revision 675 - (view) (annotate) - [select for diffs]
Modified Mon Aug 11 19:38:44 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 24031 byte(s)
Diff to previous 659

Added zConstraint into the BASS language syntax.

added z-constraint parameters to the globals

Revision 655 - (view) (annotate) - [select for diffs]
Modified Tue Jul 29 16:32:06 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 21277 byte(s)
Diff to previous 579

*** empty log message ***

Removed Qmass

Revision 481 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 21:35:49 2003 UTC (22 years ago) by gezelter
File length: 21831 byte(s)
Diff to previous 474

Fixes for NPT / NVT

Fixes for NPT and NVT

Revision 465 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 14:30:12 2003 UTC (22 years ago) by gezelter
File length: 19841 byte(s)
Diff to previous 394

Added targetPressure to BASS

electrostatic changes for dipole / RF separation

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 17772 byte(s)
Copied from: branches/mmeineke/OOPSE/libBASS/Globals.cpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree