Greg Landrum 56e2cf34b3 ForceField should use pointers to const contribs

2015-03-09 04:42:07 +01:00

..

MMFF

- fixed two minor bugs in MMFF code concerning the Badger-Herschbach-Laurie

2015-01-21 22:44:11 +00:00

UFF

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

Wrap

add units to force field docs

2015-01-29 14:05:16 +01:00

CMakeLists.txt

- added relative DistanceConstraints (i.e., +/- with respect

2013-12-02 19:58:29 +01:00

Contrib.h

update copyright statements

2010-09-26 17:04:37 +00:00

ForceField.cpp

Fixes #204

2014-02-05 06:38:05 +01:00

ForceField.h

ForceField should use pointers to const contribs

2015-03-09 04:42:07 +01:00