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375beb44ed3ff1f36b827cff8a097db1892e8b4f
rdkit
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ForceField
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Greg Landrum
8424d36830
get things building on windows.
2008-04-08 18:24:56 +00:00
..
UFF
doc updates
2007-02-16 05:31:01 +00:00
Wrap
merge in the jamfiles from the bjam branch;
2007-11-23 15:55:30 +00:00
Contrib.h
cleanup and documentation changes
2007-11-14 06:09:52 +00:00
ForceField.cpp
properly support FF dimensions other than 3
2008-01-04 07:22:27 +00:00
ForceField.h
Refactor to use unsigned's where appropropriate
2008-01-03 14:47:38 +00:00
Jamfile
get things building on windows.
2008-04-08 18:24:56 +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