[ViewVC] Log of: group/trunk/OOPSE/libmdtools/Integrator.cpp

Revision 637 - (view) (annotate) - [select for diffs]
Modified Thu Jul 17 21:50:01 2003 UTC (21 years, 9 months ago) by gezelter
File length: 15197 byte(s)
Diff to previous 614

Started work on a DumpReader

Revision 614 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 17:57:04 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 15168 byte(s)
Diff to previous 601

fixed some bugs, Changed entry_plug to info where appropriate

Revision 601 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 23:06:09 2003 UTC (21 years, 9 months ago) by gezelter
File length: 15009 byte(s)
Diff to previous 600

Removed some debugging write statements

Revision 600 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 22:38:13 2003 UTC (21 years, 9 months ago) by gezelter
File length: 15099 byte(s)
Diff to previous 597

Fixes for get and set routines in Atom and DirectionalAtom

Revision 597 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 21:28:54 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 15329 byte(s)
Diff to previous 594

found a bug. Unit vectors were not being updated

Revision 594 - (view) (annotate) - [select for diffs]
Modified Fri Jul 11 22:34:48 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 15654 byte(s)
Diff to previous 572

working on som integrator bugs

Revision 572 - (view) (annotate) - [select for diffs]
Modified Wed Jul 2 21:26:55 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 14634 byte(s)
Diff to previous 567

fixed the bugs introduced by switching the periodic box to a matrix

Revision 567 - (view) (annotate) - [select for diffs]
Modified Wed Jun 25 21:12:14 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15366 byte(s)
Diff to previous 563

Changed over the bonds to Harmonic bonds in the DUFF frc file

fixed constraints.

Revision 563 - (view) (annotate) - [select for diffs]
Modified Mon Jun 23 21:24:03 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15623 byte(s)
Diff to previous 561

Doing some work to debug the constraint code.

Revision 561 - (view) (annotate) - [select for diffs]
Modified Fri Jun 20 20:29:36 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15512 byte(s)
Diff to previous 559

Most of the integrator and NVT seem to be working now.

Revision 559 - (view) (annotate) - [select for diffs]
Modified Thu Jun 19 22:02:44 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15958 byte(s)
Diff to previous 558

slowly converting to new integrator and forcefield names.

Revision 558 - (view) (annotate) - [select for diffs]
Added Thu Jun 19 19:21:23 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15703 byte(s)

finished the basics of the integrator and SimSetup.cpp

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