Revision 542 - (view) (annotate) - [select for diffs]
Modified Fri May 30 21:31:48 2003 UTC (21 years, 1 month ago) by mmeineke
File length: 11977 byte(s)
Diff to previous 497

currently modifiying Symplectic to become the basic integrator.

Fixed ordering on NVT calculation in integrators.

Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (21 years, 3 months ago) by gezelter
File length: 11273 byte(s)
Diff to previous 479

fixes for NPT and NVT

fixes for NVT

Revision 478 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 14:39:40 2003 UTC (21 years, 3 months ago) by gezelter
File length: 11460 byte(s)
Diff to previous 477

fixes for nvt / npt

dt/2 fix in nvt

Revision 475 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 12:44:18 2003 UTC (21 years, 3 months ago) by gezelter
File length: 11413 byte(s)
Diff to previous 471

Changes to integrate the NVT and NPT ensembles

Working on NVT

Revision 468 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 16:56:38 2003 UTC (21 years, 3 months ago) by gezelter
File length: 10039 byte(s)
Diff to previous 466

Many fixes to add extended system

Added ExtendedSystem infrastructure for NPT and NVT calculations

Revision 428 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 21:07:14 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 9739 byte(s)
Diff to previous 423

fixed the compile time bugs, Source builds and links

I have implemeted Molecules everywhere I could remember to.
will now attempt to compile.

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: 8709 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/Verlet.cpp 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