[ViewVC] Log of: group/trunk/OOPSE-4/src/UseTheForce/DarkSide/MetalNonMetal.F90

Revision 3559 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (15 years, 9 months ago) by gezelter
File length: 24671 byte(s)
Diff to previous 3441

removing MPI responsibilities from the lowest level force routines.  This is
in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen,
gay-berne, sticky) to C++

Revision 3441 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 17:57:55 2008 UTC (16 years, 10 months ago) by gezelter
File length: 30279 byte(s)
Diff to previous 3439

Added support for scaled 1-2, 1-3 and 1-4 interactions.

Revision 3439 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 18:40:21 2008 UTC (16 years, 11 months ago) by gezelter
File length: 30068 byte(s)
Diff to previous 3409

fixed a strange compiler structure alignment problem with the
intel Mac compiler  (structs that cross between C and fortran
appear to need 8-byte boundary alignment on this compiler).

Revision 3409 - (view) (annotate) - [select for diffs]
Modified Fri Jun 6 15:55:54 2008 UTC (17 years, 1 month ago) by chuckv
File length: 30073 byte(s)
Diff to previous 3407

Removed accidental print lines.

Revision 3407 - (view) (annotate) - [select for diffs]
Modified Thu Jun 5 15:53:59 2008 UTC (17 years, 1 month ago) by chuckv
File length: 30152 byte(s)
Diff to previous 3397

Fixed typo in LJinteraction types. LJ-metal appears to work now.

Revision 3397 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (17 years, 2 months ago) by chuckv
File length: 30069 byte(s)
Diff to previous 3392

Checking in changes for Hefland moment calculations

Revision 3392 - (view) (annotate) - [select for diffs]
Modified Wed May 14 14:31:48 2008 UTC (17 years, 2 months ago) by chuckv
File length: 29366 byte(s)
Diff to previous 3385

Changes....

Revision 3385 - (view) (annotate) - [select for diffs]
Modified Thu Apr 24 21:06:05 2008 UTC (17 years, 3 months ago) by gezelter
File length: 29377 byte(s)
Diff to previous 3380

Changing functional form

Revision 3380 - (view) (annotate) - [select for diffs]
Modified Fri Apr 11 16:21:34 2008 UTC (17 years, 3 months ago) by chuckv
File length: 28678 byte(s)
Diff to previous 3366

Fixed sign error in MnM based on atid's.

Revision 3366 - (view) (annotate) - [select for diffs]
Modified Tue Mar 11 21:06:55 2008 UTC (17 years, 4 months ago) by chuckv
File length: 28538 byte(s)
Diff to previous 3356

MnM interaction now works.

Revision 3356 - (view) (annotate) - [select for diffs]
Modified Mon Mar 3 17:14:37 2008 UTC (17 years, 4 months ago) by chuckv
File length: 30243 byte(s)
Diff to previous 3346

Changes to MAW. New form of the potential and cleanup.

Revision 3346 - (view) (annotate) - [select for diffs]
Modified Thu Feb 14 21:37:05 2008 UTC (17 years, 5 months ago) by chuckv
File length: 30934 byte(s)
Diff to previous 3207

Changes to simparalell to remove MPI stuff.

Revision 3207 - (view) (annotate) - [select for diffs]
Modified Tue Aug 14 17:41:05 2007 UTC (17 years, 11 months ago) by xsun
File length: 30124 byte(s)
Diff to previous 3194

added a check for non-initialized MnM_map

Revision 3194 - (view) (annotate) - [select for diffs]
Modified Wed Jul 25 19:35:57 2007 UTC (18 years ago) by chuckv
File length: 30055 byte(s)
Diff to previous 3184

Changes to MetalnonMetal derivatives.

Revision 3184 - (view) (annotate) - [select for diffs]
Modified Thu Jul 19 19:49:38 2007 UTC (18 years ago) by chuckv
File length: 29450 byte(s)
Diff to previous 3177

More bug fixes to Metalnonmetal.

Revision 3177 - (view) (annotate) - [select for diffs]
Modified Tue Jul 17 21:55:57 2007 UTC (18 years ago) by gezelter
File length: 29102 byte(s)
Diff to previous 3176

adding MetalNonMetal interactions

Revision 3176 - (view) (annotate) - [select for diffs]
Modified Tue Jul 17 18:54:47 2007 UTC (18 years ago) by chuckv
File length: 19342 byte(s)
Diff to previous 3170

Added more Morse and Lennard-Jones part of metal-nonmetal.

Revision 3170 - (view) (annotate) - [select for diffs]
Added Fri Jul 13 14:21:07 2007 UTC (18 years ago) by chuckv
File length: 9569 byte(s)

One more to add.

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a