Initial commit of mpi routines for force decomposition.

Revision 167 - Directory Listing - [select for diffs]
Modified Fri Nov 8 14:21:52 2002 UTC (23 years ago) by chuckv
Diff to previous 162 , to selected 31

First commit of mpi force code.

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Revision 134 - Directory Listing - [select for diffs]
Modified Fri Oct 11 15:09:09 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 131 , to selected 31

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Revision 126 - Directory Listing - [select for diffs]
Modified Thu Oct 3 20:12:15 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 117 , to selected 31

Added make include.

fixed allot of warnings, and adde the molecule

Revision 114 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:13:10 2002 UTC (23 years, 1 month ago) by mmeineke
Diff to previous 31

starting work on the molecule class

starting to add in the molecule class


adding in the molecule class

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 (23 years, 3 months ago) by mmeineke
Diff to previous 25 , to selected 31

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

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 (23 years, 4 months ago) by mmeineke
Diff to selected 31

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