Revision 2303 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:00:12 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 18587 byte(s)
Diff to previous 2297

it builds now, but there are known issues - particularly with reaction field...

changes to include the coulombicCorrection selector

Revision 2252 - (view) (annotate) - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (19 years, 1 month ago) by chuckv
File length: 18444 byte(s)
Diff to previous 2204

Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

xemacs has been drafted to perform our indentation services

Revision 2187 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 18:41:17 2005 UTC (19 years, 2 months ago) by tim
File length: 19539 byte(s)
Diff to previous 2101

more memory leak are fixed

First commit of the new restraints code

Revision 2097 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (19 years, 4 months ago) by tim
File length: 19248 byte(s)
Diff to previous 2068

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

adding OOPSERandNumGen

Revision 2010 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (19 years, 4 months ago) by tim
File length: 19665 byte(s)
Diff to previous 2006

maximum length defaults to the cutoff radius

more work in dynamicProps

Revision 2000 - (view) (annotate) - [select for diffs]
Modified Fri Feb 11 22:41:02 2005 UTC (19 years, 4 months ago) by tim
File length: 19622 byte(s)
Diff to previous 1976

adding one more constructor to Snapshot to create customized DataStorage

adding SelectionManager into SimInfo

Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File length: 19483 byte(s)
Diff to previous 1772

merging new_design branch into OOPSE-2.0

Improvements to restraints

Revision 1636 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 6756 byte(s)
Diff to previous 1617

fixey fixey the breakey breakey

Fortran/C++ interface de-obfuscation project (It is a very long story)

Revision 1492 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 9 months ago) by tim
File length: 7102 byte(s)
Diff to previous 1490

change the #include in source files

Import of OOPSE v. 2.0