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rdkit
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6dcbdb246b751fb9f6820600f78a2431b04ec757
rdkit
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ForceField
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Greg Landrum
c9161554b9
clean up some compiler warnings from clang
2011-05-26 02:36:23 +00:00
..
UFF
update copyright statements
2010-09-26 17:04:37 +00:00
Wrap
clean up some compiler warnings from clang
2011-05-26 02:36:23 +00:00
CMakeLists.txt
merge in a set of changes from Riccardo V. to install .h files as well;
2010-09-04 14:07:22 +00:00
Contrib.h
update copyright statements
2010-09-26 17:04:37 +00:00
ForceField.cpp
update copyright statements
2010-09-26 17:04:37 +00:00
ForceField.h
update copyright statements
2010-09-26 17:04:37 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
testForceField.cpp
update copyright statements
2010-09-26 17:04:37 +00:00