little bug fixes here and there.

Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 27 01:49:45 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 416 , to selected 418

Fixes to fileio for MPI

bug fixes   many bug fixes

Revision 415 - Directory Listing - [select for diffs]
Modified Wed Mar 26 22:24:49 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 414 , to selected 418

Making DumpWriter less dependent on sequence of atoms on the other
processors.  Node 0 now fires potatoes at other processors to get them
to send french fries back.

the skeleton for making the molecules is in place. ForceField needs to be updated next.

Revision 413 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:54:49 2003 UTC (22 years, 11 months ago) by mmeineke
Diff to previous 412 , to selected 418

fixed a couple of the "static" bugs in  Atom and Exclude

still working on the SimSetup routine. also fixed some things in Exclude.hpp

Revision 411 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:24:08 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 410 , to selected 418

Added Atom.cpp and Exclude.cpp

Fixes in Atom and Exclude list

Revision 409 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:04:38 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 408 , to selected 418

Make Atom.cpp able to add and delete ranges of atoms

added an Exclude class with static arrays similar to the Atom class

Revision 407 - Directory Listing - [select for diffs]
Modified Wed Mar 26 20:22:02 2003 UTC (22 years, 11 months ago) by mmeineke
Diff to previous 406 , to selected 418

I'm overhauling the molecule class to contain it's own bonds, bends, and torsions.

may god have mercy on my soul.

Finished globalIndex.

Revision 405 - Directory Listing - [select for diffs]
Modified Wed Mar 26 18:02:18 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 404 , to selected 418

MPI stuff for passing out molecules

working on load balancing

Revision 403 - Directory Listing - [select for diffs]
Modified Wed Mar 26 15:37:05 2003 UTC (22 years, 11 months ago) by chuckv
Diff to previous 402 , to selected 418

Fixes for Parallel thermalization

fixed an mpi include bug in THermo.cpp

Revision 401 - Directory Listing - [select for diffs]
Modified Tue Mar 25 22:54:16 2003 UTC (22 years, 11 months ago) by chuckv
Diff to previous 400 , to selected 418

Fixed bugs with calculation of potential energy and temperature.

*** empty log message ***

Revision 394 - Directory Listing - [select for diffs]
Modified Mon Mar 24 21:55:34 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 393 , to selected 418

electrostatic changes for dipole / RF separation

little bug fixes here and there

Revision 389 - Directory Listing - [select for diffs]
Modified Mon Mar 24 15:26:05 2003 UTC (22 years, 11 months ago) by mmeineke
Diff to previous 388 , to selected 418

fixed bug where short range interactions were not being calculated.

removed some debug print statements

various write statements for debugging

Revision 386 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:52:11 2003 UTC (22 years, 11 months ago) by gezelter
Diff to previous 385 , to selected 418

Fixed F_MACH_DEP bug

Makefile fixes, directory re-org, autoconf fixes

Revision 379 - Directory Listing - [select for diffs]
Modified Fri Mar 21 17:52:35 2003 UTC (22 years, 11 months ago) by mmeineke
Diff to previous 378 , to selected 418

Makefile fixes for depends

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.