Greg Landrum a92b7bd3c4 fix a clang compiler warning

2013-11-06 04:50:24 +01:00

..

MMFF

fix a clang compiler warning

2013-11-06 04:50:24 +01:00

UFF

fix a bunch of include guards

2013-10-12 16:06:21 +02:00

Wrap

- Replaced the setupMMFFForceField() function (which returned a pointer

2013-09-28 18:45:51 +02:00

CMakeLists.txt

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

Contrib.h

update copyright statements

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

ForceField.cpp

another update

2012-02-25 16:27:54 +00:00

ForceField.h

update copyright statements

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