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952d2b054cffc8ae4229ed08a67db39e533ee4db
rdkit
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Code
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Numerics
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Optimizer
History
Greg Landrum
ec192d981e
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00
..
BFGSOpt.cpp
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00
BFGSOpt.h
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +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
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
LinearSearch.cpp
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
testOptimizer.cpp
changes to robustify (and somewhat speed up) the optimizer. These will change results
2010-02-28 13:11:34 +00:00