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7065810cfdfd66c07cb5ca7036986d8662ef1ebd
rdkit/Code/ForceField
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Greg Landrum ec192d981e changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00
..
UFF
fix and test sf.net issue2378119
2008-12-03 19:34:55 +00:00
Wrap
builds on windows with visual studio; need to pass back to linux now
2009-10-01 13:35:48 +00:00
CMakeLists.txt
builds on windows with visual studio; need to pass back to linux now
2009-10-01 13:35:48 +00:00
Contrib.h
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
ForceField.cpp
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00
ForceField.h
Refactor to use unsigned's where appropropriate
2008-01-03 14:47:38 +00:00
Jamfile
this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out
2008-11-15 17:14:13 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
testForceField.cpp
fix a warning and a round-off problem
2008-12-04 07:20:55 +00:00
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