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3e6cb74075e6a683df88df517c2635a1663d5526
rdkit
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ForceField
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Greg Landrum
3e6cb74075
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
..
UFF
doc updates
2007-02-16 05:31:01 +00:00
Wrap
remove vestiges of old windows build system
2007-07-31 17:09:53 +00:00
Contrib.h
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
ForceField.cpp
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
ForceField.h
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
Makefile
initial import
2006-05-06 22:20:08 +00:00
test_list.py
initial import
2006-05-06 22:20:08 +00:00
testForceField.cpp
Forcefield no longer relies on Point3D - it is assumed to work with the base class Point. A new data member d_dimension keep track of what dimension we live in
2006-10-19 23:25:29 +00:00