Paolo Tosco eac634383e - fixed two minor bugs in MMFF code concerning the Badger-Herschbach-Laurie ...

equations.

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

..

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

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

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