[ViewVC] Log of: group/trunk/OOPSE-4/src/integrators/SMLDForceManager.cpp

Revision 3319 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (16 years, 7 months ago) by gezelter
File length: 17654 byte(s)
Diff to previous 3295

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Revision 3295 - (view) (annotate) - [select for diffs]
Modified Fri Dec 7 15:01:24 2007 UTC (16 years, 9 months ago) by cpuglis
File length: 15986 byte(s)
Diff to previous 3250

does ifdef check for computational geometry packages

Revision 3250 - (view) (annotate) - [select for diffs]
Modified Fri Oct 5 19:02:09 2007 UTC (16 years, 11 months ago) by xsun
File length: 15852 byte(s)
Diff to previous 3145

Fixed some bugs in LDForceManager.cpp

Revision 3145 - (view) (annotate) - [select for diffs]
Added Thu May 31 17:46:49 2007 UTC (17 years, 3 months ago) by chuckv
File length: 15803 byte(s)

Starting NPT Langevin. Added new force manager files.

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