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

Revision 1192 - (view) (annotate) - [select for diffs]
Modified Mon May 24 21:03:30 2004 UTC (20 years, 11 months ago) by gezelter
File length: 29107 byte(s)
Diff to previous 1150

Fixes for stress / pressure tensor by cutoff group

Revision 1150 - (view) (annotate) - [select for diffs]
Modified Fri May 7 21:35:05 2004 UTC (20 years, 11 months ago) by gezelter
File length: 29855 byte(s)
Diff to previous 898

Many changes to get group-based cutoffs to work

Revision 898 - (view) (annotate) - [select for diffs]
Modified Mon Jan 5 22:49:14 2004 UTC (21 years, 3 months ago) by chuckv
File length: 29760 byte(s)
Diff to previous 882

Attempting to increase performance by reducing spurious function calls

Revision 882 - (view) (annotate) - [select for diffs]
Modified Wed Dec 17 20:13:33 2003 UTC (21 years, 4 months ago) by chuckv
File length: 29812 byte(s)
Diff to previous 801

Fixed bug in parallel EAM. rho_row and rho_col were scattered into the same array. Unfortunately, MPI zeros the array between scatters so half of the sum was being lost. Fixed by added a temp array for column scatter, then sum loop over nlocal.

Revision 801 - (view) (annotate) - [select for diffs]
Modified Sat Oct 4 18:46:12 2003 UTC (21 years, 7 months ago) by chuckv
File length: 29488 byte(s)
Diff to previous 747

Fixed bug in calc_eam.

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: 29420 byte(s)
Diff to previous 730

Changes to autoconf / configure method of configuring OOPSE

Revision 730 - (view) (annotate) - [select for diffs]
Modified Wed Aug 27 16:25:11 2003 UTC (21 years, 8 months ago) by gezelter
File length: 29414 byte(s)
Diff to previous 673

More fixes for stress tensor parallel bug.

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: 29430 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 (21 years, 8 months ago) by chuckv
File length: 29483 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 (21 years, 9 months ago) by chuckv
File length: 29161 byte(s)
Diff to previous 653

More bug fixes for eam.

Revision 653 - (view) (annotate) - [select for diffs]
Modified Fri Jul 25 20:00:17 2003 UTC (21 years, 9 months ago) by chuckv
File length: 28907 byte(s)
Diff to previous 650

Added eam to simSetup and added changecutoffeam.

Revision 650 - (view) (annotate) - [select for diffs]
Modified Thu Jul 24 19:57:35 2003 UTC (21 years, 9 months ago) by chuckv
File length: 28722 byte(s)
Diff to previous 648

module use fixes for eam and do_forces.

Revision 648 - (view) (annotate) - [select for diffs]
Modified Wed Jul 23 22:13:59 2003 UTC (21 years, 9 months ago) by chuckv
File length: 28703 byte(s)
Diff to previous 631

Finished most code for eam....

Revision 631 - (view) (annotate) - [select for diffs]
Modified Thu Jul 17 19:25:51 2003 UTC (21 years, 9 months ago) by chuckv
File length: 24873 byte(s)
Diff to previous 497

Added massive changes for eam....

Revision 497 - (view) (annotate) - [select for diffs]
Modified Mon Apr 14 21:16:37 2003 UTC (22 years ago) by chuckv
File length: 17017 byte(s)
Diff to previous 492

Fixed ordering on NVT calculation in integrators.

Revision 492 - (view) (annotate) - [select for diffs]
Added Mon Apr 14 18:19:15 2003 UTC (22 years ago) by chuckv
File length: 17049 byte(s)

Added first mangling of EAM.

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