Fixed bug with pot energy.

Revision 261 - (view) (annotate) - [select for diffs]
Modified Mon Feb 3 21:15:59 2003 UTC (21 years, 5 months ago) by chuckv
File length: 7259 byte(s)
Diff to previous 254

We have working code today... MPI bug fixes to DumpWriter.

Bug fixes for mpi version of code

Revision 253 - (view) (annotate) - [select for diffs]
Modified Thu Jan 30 15:20:21 2003 UTC (21 years, 5 months ago) by chuckv
File length: 7307 byte(s)
Diff to previous 252

Added a generic util code directory and moved Linux_ifc_machdep to it.
MPI changes to compile MPI modules.

Force loops seems to work, velocitize never being called....

Revision 249 - (view) (annotate) - [select for diffs]
Modified Mon Jan 27 21:28:19 2003 UTC (21 years, 5 months ago) by chuckv
File length: 7187 byte(s)
Diff to previous 223

For some unknown reason the Single processor builds. Has not been tested!

Finished thermo and randomSPRNG classes.

Revision 221 - (view) (annotate) - [select for diffs]
Modified Thu Jan 2 20:14:08 2003 UTC (21 years, 6 months ago) by chuckv
File length: 6918 byte(s)
Diff to previous 218

Thermo now can use SPRNG or rand48 (if not MPI).
Finished up work on randomSPRNG. Still need to fix
access to MPISimulation.

Changed thermo getKinetic and getPotential for MPI.
Added header for SPRNG random number generator class.

Revision 117 - (view) (annotate) - [select for diffs]
Modified Tue Sep 24 22:10:55 2002 UTC (21 years, 9 months ago) by mmeineke
File length: 5300 byte(s)
Diff to previous 25

fixed allot of warnings, and adde the molecule

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

Revision 11 - (view) (annotate) - [select for diffs]
Modified Tue Jul 9 18:40:59 2002 UTC (21 years, 11 months ago) by mmeineke
File length: 5290 byte(s)
Copied from: branches/mmeineke/mdtools/md_code/Thermo.cpp revision 10
Diff to previous 10

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

everything you need to make libmdtools