Greg Landrum 40b006a8e0 fix to get tests passing in lin32. not a functional change, just tolerance values

2014-12-09 03:28:39 +01:00

..

MMFF

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

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

UFF

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

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

Wrap

fix to get tests passing in lin32. not a functional change, just tolerance values

2014-12-09 03:28:39 +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

update copyright statements

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