[ViewVC] Log of: group/trunk/OOPSE/libBASS/Globals.hpp

Revision 1181 - (view) (annotate) - [select for diffs]
Modified Thu May 20 20:27:26 2004 UTC (20 years, 11 months ago) by chrisfen
File length: 8959 byte(s)
Diff to previous 1153

Hopefully this commit included the bass keywords

Revision 1153 - (view) (annotate) - [select for diffs]
Modified Tue May 11 04:21:52 2004 UTC (20 years, 11 months ago) by gezelter
File length: 8478 byte(s)
Diff to previous 1137

BASS changes for adding CutoffGroups to molecules.  Also restructured
the plethora of cutoff radii into one cutoffRadius and one
switchingRadius.  Also removed the useMolecularCutoffs keyword

Revision 1137 - (view) (annotate) - [select for diffs]
Modified Wed Apr 28 21:39:12 2004 UTC (21 years ago) by gezelter
File length: 8644 byte(s)
Diff to previous 1093

useMolecularCutoffs added to Globals

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: 8432 byte(s)
Diff to previous 1091

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

Revision 1091 - (view) (annotate) - [select for diffs]
Modified Tue Mar 16 19:22:56 2004 UTC (21 years, 1 month ago) by tim
File length: 8253 byte(s)
Diff to previous 1066

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: 7930 byte(s)
Diff to previous 1031

*** empty log message ***

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: 7924 byte(s)
Diff to previous 957

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

Revision 957 - (view) (annotate) - [select for diffs]
Modified Mon Jan 19 16:08:21 2004 UTC (21 years, 3 months ago) by gezelter
File length: 6494 byte(s)
Diff to previous 855

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: 6349 byte(s)
Diff to previous 828

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

Revision 828 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:06 2003 UTC (21 years, 6 months ago) by gezelter
File length: 6125 byte(s)
Diff to previous 811

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: 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;

Revision 747 - (view) (annotate) - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (21 years, 7 months ago) by gezelter
File length: 6041 byte(s)
Diff to previous 745

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: 6076 byte(s)
Diff to previous 708

added resetTime to the Global namespace.

Revision 708 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 22:23:34 2003 UTC (21 years, 8 months ago) by tim
File length: 5916 byte(s)
Diff to previous 706

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 (21 years, 8 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.

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: 5800 byte(s)
Diff to previous 693

Tested MPI version of Z-Constraint Method

Revision 693 - (view) (annotate) - [select for diffs]
Modified Wed Aug 13 19:21:53 2003 UTC (21 years, 8 months ago) by tim
File length: 5596 byte(s)
Diff to previous 690

harmonic potential & z-contraint method

Revision 690 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 21:44:06 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 5594 byte(s)
Diff to previous 689

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 (21 years, 8 months ago) by tim
File length: 5738 byte(s)
Diff to previous 682

debugging globals

Revision 682 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 17:51:33 2003 UTC (21 years, 8 months ago) by tim
File length: 5575 byte(s)
Diff to previous 675

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: 5432 byte(s)
Diff to previous 659

Added zConstraint into the BASS language syntax.

Revision 659 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 15:38:08 2003 UTC (21 years, 9 months ago) by tim
File length: 5181 byte(s)
Diff to previous 481

added z-constraint parameters to the globals

Revision 481 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 21:35:49 2003 UTC (22 years ago) by gezelter
File length: 4763 byte(s)
Diff to previous 474

Fixes for NPT / NVT

Revision 474 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 21:42:19 2003 UTC (22 years ago) by gezelter
File length: 4573 byte(s)
Diff to previous 465

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: 4185 byte(s)
Diff to previous 394

Added targetPressure to BASS

Revision 394 - (view) (annotate) - [select for diffs]
Modified Mon Mar 24 21:55:34 2003 UTC (22 years, 1 month ago) by gezelter
File length: 4073 byte(s)
Diff to previous 378

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: 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.

Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/libBASS/Globals.hpp
File length: 3872 byte(s)

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