[ViewVC] Log of: group/trunk/mdtools/md

Revision 168 - Directory Listing - [select for diffs]
Modified Fri Nov 8 15:01:43 2002 UTC (22 years, 6 months ago) by chuckv
Diff to previous 167 , to selected 25

Initial commit of mpi routines for force decomposition.

Revision 167 - Directory Listing - [select for diffs]
Modified Fri Nov 8 14:21:52 2002 UTC (22 years, 6 months ago) by chuckv
Diff to previous 162 , to selected 25

First commit of mpi force code.

Revision 162 - Directory Listing - [select for diffs]
Modified Thu Oct 31 21:20:49 2002 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 134 , to selected 25

*** empty log message ***

Revision 134 - Directory Listing - [select for diffs]
Modified Fri Oct 11 15:09:09 2002 UTC (22 years, 7 months ago) by chuckv
Diff to previous 131 , to selected 25

*** empty log message ***

Revision 131 - Directory Listing - [select for diffs]
Modified Wed Oct 9 22:29:40 2002 UTC (22 years, 7 months ago) by chuckv
Diff to previous 126 , to selected 25

*** empty log message ***

Revision 126 - Directory Listing - [select for diffs]
Modified Thu Oct 3 20:12:15 2002 UTC (22 years, 7 months ago) by chuckv
Diff to previous 117 , to selected 25

Added make include.

Revision 117 - Directory Listing - [select for diffs]
Modified Tue Sep 24 22:10:55 2002 UTC (22 years, 7 months ago) by mmeineke
Diff to previous 114 , to selected 25

fixed allot of warnings, and adde the molecule

Revision 114 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:13:10 2002 UTC (22 years, 7 months ago) by mmeineke
Diff to previous 31 , to selected 25

starting work on the molecule class

starting to add in the molecule class


adding in the molecule class

Revision 31 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:38:22 2002 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 30 , to selected 25

fixed a bug in getA( double the_A[3][3] );

Revision 30 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:10:49 2002 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 25

added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition

Revision 25 - Directory Listing - [selected]
Modified Tue Jul 9 21:46:32 2002 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 11

fixed a precision error in the calculation of the temperature.
Also fixed the order that dump file are written.

Revision 11 - Directory Listing - [select for diffs]
Added Tue Jul 9 18:40:59 2002 UTC (22 years, 10 months ago) by mmeineke
Diff to selected 25

This commit was generated by cvs2svn to compensate for changes in r10, which
included commits to RCS files with non-trunk default branches.

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