fix whole bunch of bugs :-)

Revision 1108 - (view) (annotate) - [select for diffs]
Modified Wed Apr 14 15:37:41 2004 UTC (20 years, 2 months ago) by tim
File length: 15806 byte(s)
Diff to previous 1097

Change DumpWriter and InitFromFile

Changes for RigidBody dynamics (Somewhat extensive)

Revision 911 - (view) (annotate) - [select for diffs]
Modified Thu Jan 8 18:13:30 2004 UTC (20 years, 6 months ago) by mmeineke
File length: 16328 byte(s)
Diff to previous 909

refixed the NVT readin XS state bug.

fixed the restart from NVT exstended state bug

Revision 906 - (view) (annotate) - [select for diffs]
Modified Thu Jan 8 15:44:47 2004 UTC (20 years, 6 months ago) by mmeineke
File length: 16240 byte(s)
Diff to previous 905

added support for the ignore XS state info  flag

Fixed a bug of sending message from master node to itself in DumpWriter.cpp
and InitializeFromFile.cpp

Revision 874 - (view) (annotate) - [select for diffs]
Modified Fri Nov 21 20:10:02 2003 UTC (20 years, 7 months ago) by mmeineke
File length: 16144 byte(s)
Diff to previous 837

added a more verbose error message in SimInfo. Added a more informative error message in InitializeFromFile

add chi and eta to the comment line of dump file.

Revision 830 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:20:28 2003 UTC (20 years, 8 months ago) by gezelter
File length: 16405 byte(s)
Diff to previous 829

fixes for compatibility

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 787 - (view) (annotate) - [select for diffs]
Modified Thu Sep 25 19:27:15 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 16375 byte(s)
Diff to previous 690

cleaned things with gcc -Wall and g++ -Wall

fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.

Revision 689 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 19:56:49 2003 UTC (20 years, 10 months ago) by tim
File length: 16584 byte(s)
Diff to previous 670

debugging globals

switched SimInfo to use a system configuration from SimState rather than arrays from Atom

Revision 644 - (view) (annotate) - [select for diffs]
Modified Tue Jul 22 16:41:08 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 16650 byte(s)
Diff to previous 643

Fixed a current time initialization bug in InitFromFile.

some initial changes to Dumpwriter and friends to accomadate random file access

Revision 641 - (view) (annotate) - [select for diffs]
Modified Mon Jul 21 16:23:10 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 16417 byte(s)
Diff to previous 590

fixed Initializefrom file to start the simulation from the time specified in the init file.

fixed some bugs

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Jul 9 22:14:06 2003 UTC (21 years ago) by mmeineke
File length: 16075 byte(s)
Diff to previous 447

Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.

fixed some small things with simError.h

Revision 440 - (view) (annotate) - [select for diffs]
Modified Tue Apr 1 16:49:17 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 13318 byte(s)
Diff to previous 436

Fixed DumpWriter to be more robust to errors. also added a little namespace to InitFromFile to wrap it's helper functions in MPI

Bug fixes in read-write routines.

Revision 419 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 15:07:29 2003 UTC (21 years, 3 months ago) by gezelter
File length: 12083 byte(s)
Diff to previous 417

fixes for local->global atom numbering in MPI

Fixes to fileio for MPI

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 13341 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/InitializeFromFile.cpp revision 377
Diff to previous 377

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

New OOPSE Tree