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

Revision 408 - Directory Listing - [select for diffs]
Modified Wed Mar 26 20:45:07 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 407

added an Exclude class with static arrays similar to the Atom class

Revision 407 - Directory Listing - [select for diffs]
Modified Wed Mar 26 20:22:02 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 406

I'm overhauling the molecule class to contain it's own bonds, bends, and torsions.

may god have mercy on my soul.

Revision 406 - Directory Listing - [select for diffs]
Modified Wed Mar 26 19:34:49 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 405

Finished globalIndex.

Revision 405 - Directory Listing - [select for diffs]
Modified Wed Mar 26 18:02:18 2003 UTC (21 years, 3 months ago) by gezelter
Diff to previous 404

MPI stuff for passing out molecules

Revision 404 - Directory Listing - [select for diffs]
Modified Wed Mar 26 16:12:53 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 403

working on load balancing

Revision 403 - Directory Listing - [select for diffs]
Modified Wed Mar 26 15:37:05 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 402

Fixes for Parallel thermalization

Revision 402 - Directory Listing - [select for diffs]
Modified Wed Mar 26 14:55:50 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 401

fixed an mpi include bug in THermo.cpp

Revision 401 - Directory Listing - [select for diffs]
Modified Tue Mar 25 22:54:16 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 400

Fixed bugs with calculation of potential energy and temperature.

Revision 400 - Directory Listing - [select for diffs]
Modified Tue Mar 25 14:29:12 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 394

*** empty log message ***

Revision 394 - Directory Listing - [select for diffs]
Modified Mon Mar 24 21:55:34 2003 UTC (21 years, 3 months ago) by gezelter
Diff to previous 393

electrostatic changes for dipole / RF separation

Revision 393 - Directory Listing - [select for diffs]
Modified Mon Mar 24 18:33:51 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 389

little bug fixes here and there

Revision 389 - Directory Listing - [select for diffs]
Modified Mon Mar 24 15:26:05 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 388

fixed bug where short range interactions were not being calculated.

removed some debug print statements

Revision 388 - Directory Listing - [select for diffs]
Modified Fri Mar 21 22:11:50 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 386

various write statements for debugging

Revision 386 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:52:11 2003 UTC (21 years, 3 months ago) by gezelter
Diff to previous 385

Fixed F_MACH_DEP bug

Revision 385 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:37:58 2003 UTC (21 years, 3 months ago) by gezelter
Diff to previous 379

Makefile fixes, directory re-org, autoconf fixes

Revision 379 - Directory Listing - [select for diffs]
Modified Fri Mar 21 17:52:35 2003 UTC (21 years, 3 months ago) by mmeineke
Diff to previous 378

Makefile fixes for depends

Revision 378 - Directory Listing - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

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