Revision 1490 - Directory Listing - [select for diffs]
Modified Fri Aug 13 15:02:28 2010 UTC (14 years, 10 months ago) by chuckv
Diff to previous 1489

Adding some error reporting and debuging code to OpenMD. This code is borrowed from ProtoMol.

Migrating Sutton-Chen from Fortran over to C++

Revision 1485 - Directory Listing - [select for diffs]
Modified Wed Jul 28 19:52:00 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1484

Converting Sticky over to C++

removing cruft

Revision 1483 - Directory Listing - [select for diffs]
Modified Tue Jul 27 21:17:31 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1482

Added GB module to the C++ side, got rid of it on the fortran side.

Fixed a bug in EAM.  Seems to work now!

Revision 1481 - Directory Listing - [select for diffs]
Modified Mon Jul 26 21:55:18 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1480

fixed phi mixing

no longer segfaults

Revision 1479 - Directory Listing - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1478

Added EAM.  Still segfaults but compiles.

busticated EAM

Revision 1476 - Directory Listing - [select for diffs]
Modified Wed Jul 21 18:31:05 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1475

fixed some destructor bugs dealing with the TypeContainers

Added CubicSpline class to replace our interpolation F90 module

Revision 1473 - Directory Listing - [select for diffs]
Modified Tue Jul 20 15:43:00 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1472

fixing c/fortran bugs

fixing calls

Revision 1471 - Directory Listing - [select for diffs]
Modified Mon Jul 19 18:59:59 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1470

Added nonbonded directory.  Compiles, links, runs, but gives incorrect
answer.

builds

Revision 1469 - Directory Listing - [select for diffs]
Modified Mon Jul 19 14:07:59 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1468

attempts at c++->fortran linkage.  Still busticated.

added nonbonded directory

Revision 1467 - Directory Listing - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1466

well, it compiles, but still segfaults

Adding stuff for cmake

Revision 1465 - Directory Listing - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 11 months ago) by chuckv
Diff to previous 1

Creating busticated version of OpenMD

Standard project directories initialized by cvs2svn.