BASS changes to add RigidBodies and LJrcut

Revision 855 - (view) (annotate) - [select for diffs]
Modified Thu Nov 6 22:01:37 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 6349 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 (20 years, 8 months ago) by mmeineke
File length: 6124 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 (20 years, 10 months ago) by mmeineke
File length: 6076 byte(s)
Diff to previous 708

added resetTime to the Global namespace.

user can setup seed in bass file now, if he does not specify any value for
seed, oopse will take the value of seconds of system time as seed

Revision 706 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 19:41:37 2003 UTC (20 years, 10 months ago) by mmeineke
File length: 5836 byte(s)
Diff to previous 699

updated the Changelog.

added some bug fixes for setting the random number generator seed value.

Tested MPI version of Z-Constraint Method

Revision 693 - (view) (annotate) - [select for diffs]
Modified Wed Aug 13 19:21:53 2003 UTC (20 years, 10 months ago) by tim
File length: 5596 byte(s)
Diff to previous 690

harmonic potential & z-contraint method

fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.

Revision 689 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 19:56:49 2003 UTC (20 years, 10 months ago) by tim
File length: 5738 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 (20 years, 10 months ago) by mmeineke
File length: 5432 byte(s)
Diff to previous 659

Added zConstraint into the BASS language syntax.

added z-constraint parameters to the globals

Revision 481 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 21:35:49 2003 UTC (21 years, 3 months ago) by gezelter
File length: 4763 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 (21 years, 3 months ago) by gezelter
File length: 4185 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 (21 years, 3 months ago) by mmeineke
File length: 3872 byte(s)
Copied from: branches/mmeineke/OOPSE/libBASS/Globals.hpp 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