in the progress of fixing MPI version of cutoff group

Revision 1195 - (view) (annotate) - [select for diffs]
Modified Mon May 24 22:24:30 2004 UTC (20 years, 1 month ago) by gezelter
File length: 29353 byte(s)
Diff to previous 1192

pressure tensor fixes

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, 2 months ago) by gezelter
File length: 29855 byte(s)
Diff to previous 898

Many changes to get group-based cutoffs to work

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 (20 years, 6 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.

Fixed bug in calc_eam.

Revision 747 - (view) (annotate) - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (20 years, 10 months ago) by gezelter
File length: 29420 byte(s)
Diff to previous 730

Changes to autoconf / configure method of configuring OOPSE

More fixes for stress tensor parallel bug.

Revision 673 - (view) (annotate) - [select for diffs]
Modified Fri Aug 8 21:22:37 2003 UTC (20 years, 11 months ago) by chuckv
File length: 29430 byte(s)
Diff to previous 669

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 (20 years, 11 months ago) by chuckv
File length: 29161 byte(s)
Diff to previous 653

More bug fixes for eam.

Added eam to simSetup and added changecutoffeam.

Revision 650 - (view) (annotate) - [select for diffs]
Modified Thu Jul 24 19:57:35 2003 UTC (20 years, 11 months ago) by chuckv
File length: 28722 byte(s)
Diff to previous 648

module use fixes for eam and do_forces.

Finished most code 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: 24873 byte(s)
Diff to previous 497

Added massive changes for eam....

Fixed ordering on NVT calculation in integrators.

Revision 492 - (view) (annotate) - [select for diffs]
Added Mon Apr 14 18:19:15 2003 UTC (21 years, 2 months ago) by chuckv
File length: 17049 byte(s)

Added first mangling of EAM.