Greg Landrum 8c3d698472 remove some compiler warnings

2015-03-22 18:13:58 +01:00

..

test_data

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

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

AtomTyper.cpp

- Fixed two trivial bugs that went unnoticed so far because that

2015-01-29 13:35:58 +00:00

AtomTyper.h

- added C++ and Python helpers to retrieve force-field parameters

2014-11-17 05:51:20 +01:00

Builder.cpp

- added C++ and Python helpers to retrieve force-field parameters

2014-11-17 05:51:20 +01:00

Builder.h

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

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

CMakeLists.txt

Test multi-thread safety for UFF and MMFF94. Both pass

2013-11-20 06:42:27 +01:00

MMFF.h

support the same multi-threaded minimization with MMFF

2015-03-11 06:09:53 +01:00

test_list.py

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

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

testMMFFHelpers.cpp

remove some compiler warnings

2015-03-22 18:13:58 +01:00