[ViewVC] Log of: group/trunk/OOPSE/libmdtools/EAM

Revision 1266 - (view) (annotate) - [select for diffs]
Modified Fri Jun 11 16:46:13 2004 UTC (20 years ago) by gezelter
File length: 26500 byte(s)
Diff to previous 1261

General fixes for formatting

Revision 1261 - (view) (annotate) - [select for diffs]
Modified Fri Jun 11 14:14:10 2004 UTC (20 years ago) by gezelter
File length: 26522 byte(s)
Diff to previous 1224

Modified EAM to use forceFieldVariant

Revision 1224 - (view) (annotate) - [select for diffs]
Modified Wed Jun 2 18:27:52 2004 UTC (20 years, 1 month ago) by gezelter
File length: 26077 byte(s)
Diff to previous 1097

formatting error messages, dependency fixes

Revision 1097 - (view) (annotate) - [select for diffs]
Modified Mon Apr 12 20:32:20 2004 UTC (20 years, 2 months ago) by gezelter
File length: 26012 byte(s)
Diff to previous 976

Changes for RigidBody dynamics (Somewhat extensive)

Revision 976 - (view) (annotate) - [select for diffs]
Modified Thu Jan 22 17:34:20 2004 UTC (20 years, 5 months ago) by chrisfen
File length: 26094 byte(s)
Diff to previous 952

Corrected spelling in several directories, and stated WATER.cpp

Revision 952 - (view) (annotate) - [select for diffs]
Modified Fri Jan 16 21:55:39 2004 UTC (20 years, 5 months ago) by tim
File length: 26094 byte(s)
Diff to previous 941

fix a bug in creating eor file

Revision 941 - (view) (annotate) - [select for diffs]
Modified Tue Jan 13 23:01:43 2004 UTC (20 years, 5 months ago) by gezelter
File length: 26096 byte(s)
Diff to previous 859

Changes for adding direct charge-charge interactions (with switching function)

Revision 859 - (view) (annotate) - [select for diffs]
Modified Mon Nov 10 21:50:36 2003 UTC (20 years, 7 months ago) by mmeineke
File length: 25998 byte(s)
Diff to previous 829

reordered the rcut/ecr/boxSize initialization

removed the rcut/ecr shrink and grow algorithm. the simulation will now exit when it runs into rcut or ecr.

Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (20 years, 8 months ago) by gezelter
File length: 25991 byte(s)
Diff to previous 814

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 814 - (view) (annotate) - [select for diffs]
Modified Thu Oct 23 19:57:25 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 25988 byte(s)
Diff to previous 787

added eam ForceField files to the init

fixed an eam mpi parmeter setup bug

Revision 787 - (view) (annotate) - [select for diffs]
Modified Thu Sep 25 19:27:15 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 25988 byte(s)
Diff to previous 673

cleaned things with gcc -Wall and g++ -Wall

Revision 673 - (view) (annotate) - [select for diffs]
Modified Fri Aug 8 21:22:37 2003 UTC (20 years, 10 months ago) by chuckv
File length: 26052 byte(s)
Diff to previous 669

EAM works...... Neighbor list also works.....

Revision 669 - (view) (annotate) - [select for diffs]
Modified Thu Aug 7 00:47:33 2003 UTC (20 years, 10 months ago) by chuckv
File length: 26095 byte(s)
Diff to previous 657

Bug fixes for eam...

Revision 657 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 21:17:01 2003 UTC (20 years, 11 months ago) by chuckv
File length: 25925 byte(s)
Diff to previous 631

More bug fixes for eam.

Revision 631 - (view) (annotate) - [select for diffs]
Modified Thu Jul 17 19:25:51 2003 UTC (20 years, 11 months ago) by chuckv
File length: 25492 byte(s)
Diff to previous 627

Added massive changes for eam....

Revision 627 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 21:49:59 2003 UTC (20 years, 11 months ago) by chuckv
File length: 25125 byte(s)
Diff to previous 499

More up to date version of EAM_FF

Revision 499 - (view) (annotate) - [select for diffs]
Added Tue Apr 15 16:37:59 2003 UTC (21 years, 2 months ago) by chuckv
File length: 11894 byte(s)

More eam work.

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