Greg Landrum 9727cffa61 make python wrappers and tests optional

2010-01-22 11:22:58 +00:00

..

Wrap

make python wrappers and tests optional

2010-01-22 11:22:58 +00:00

CMakeLists.txt

builds and passes tests on linux

2009-09-28 11:02:18 +00:00

GasteigerCharges.cpp

This is a sizeable one: change the way BGL is used so that atoms and bonds are stored as bundled properties

2009-02-11 20:19:25 +00:00

GasteigerCharges.h

initial import

2006-05-06 22:20:08 +00:00

GasteigerParams.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

GasteigerParams.h

initial import

2006-05-06 22:20:08 +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