Revision 823 - (view) (annotate) - [select for diffs]
Modified Mon Oct 27 22:07:48 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 1968 byte(s)
Diff to previous 682

added routines for the sysbuilder to work with simSetup

added harmonical potential to z-constraint method

Revision 670 - (view) (annotate) - [select for diffs]
Modified Thu Aug 7 21:47:18 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 1837 byte(s)
Diff to previous 660

switched SimInfo to use a system configuration from SimState rather than arrays from Atom

add index range checking into ZConstraint

Revision 656 - (view) (annotate) - [select for diffs]
Modified Tue Jul 29 16:32:37 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 1896 byte(s)
Diff to previous 645

working on the props code

*** empty log message ***

Revision 616 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 18:52:16 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 1781 byte(s)
Diff to previous 614

cleaned up simSetup

fixed some bugs, Changed entry_plug to info where appropriate

Revision 498 - (view) (annotate) - [select for diffs]
Modified Mon Apr 14 21:22:54 2003 UTC (21 years, 2 months ago) by mmeineke
File length: 1312 byte(s)
Diff to previous 424

working on the system builder

fixing some compile time bugs

Revision 422 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 19:21:42 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 1300 byte(s)
Diff to previous 407

finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class

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

may god have mercy on my soul.

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 1377 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/SimSetup.hpp revision 377
Diff to previous 377

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

New OOPSE Tree