Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 1275 - Directory Listing - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 10 months ago) by cli2
Diff to previous 1245

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Checking in changes for Hefland moment calculations

Revision 1024 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
Diff to previous 963

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Adding single precision capabilities to c++ side

Revision 938 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years ago) by gezelter
Diff to previous 924

Many performance improvements

Added check to make sure md file exists.

Revision 912 - Directory Listing - [select for diffs]
Modified Thu Mar 23 14:59:14 2006 UTC (19 years, 1 month ago) by tim
Diff to previous 848

Throw exception if the file can not be opened for preprocessing

autoconf modernization and cruft removal

Revision 814 - Directory Listing - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 4 months ago) by tim
Diff to previous 810

replace grammar for numerical parsing

fix a nasty negative integer parsing problem by refining the grammar

Revision 770 - Directory Listing - [select for diffs]
Added Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser