Revision 952 - (view) (annotate) - [select for diffs]
Modified Fri Jan 16 21:55:39 2004 UTC (21 years, 3 months ago) by tim
File length: 26094 byte(s)
Diff to previous 941 , to selected 499

fix a bug in creating eor file

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 (21 years, 5 months ago) by mmeineke
File length: 25998 byte(s)
Diff to previous 829 , to selected 499

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.

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 (21 years, 6 months ago) by mmeineke
File length: 25988 byte(s)
Diff to previous 787 , to selected 499

added eam ForceField files to the init

fixed an eam mpi parmeter setup bug

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

Revision 673 - (view) (annotate) - [select for diffs]
Modified Fri Aug 8 21:22:37 2003 UTC (21 years, 8 months ago) by chuckv
File length: 26052 byte(s)
Diff to previous 669 , to selected 499

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

Bug fixes for eam...

Revision 657 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 21:17:01 2003 UTC (21 years, 9 months ago) by chuckv
File length: 25925 byte(s)
Diff to previous 631 , to selected 499

More bug fixes for eam.

Added massive changes for eam....

Revision 627 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 21:49:59 2003 UTC (21 years, 9 months ago) by chuckv
File length: 25125 byte(s)
Diff to previous 499

More up to date version of EAM_FF

More eam work.