Greg Landrum e71c0a2d2d Fixes #167 ...

I am not completely comfortable with the fact that one reference energy in testDistGeom.py
  had to be changed. This is worth looking into some more

2013-11-27 07:26:05 +01:00

..

Wrap

Fixes #167

2013-11-27 07:26:05 +01:00

BoundsMatrix.h

update copyright statements

2010-09-26 17:04:37 +00:00

ChiralSet.h

update copyright statements

2010-09-26 17:04:37 +00:00

ChiralViolationContrib.cpp

get the embedding more robust in crowded chiral molecules

2009-04-20 16:37:59 +00:00

ChiralViolationContrib.h

minor cleanup/polishing changes

2006-11-22 05:32:18 +00:00

CMakeLists.txt

merge in a set of changes from Riccardo V. to install .h files as well;

2010-09-04 14:07:22 +00:00

DistGeomUtils.cpp

Fixes #167

2013-11-27 07:26:05 +01:00

DistGeomUtils.h

Fixes #167

2013-11-27 07:26:05 +01:00

DistViolationContrib.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

DistViolationContrib.h

update copyright statements

2010-09-26 17:04:37 +00:00

FourthDimContrib.h

rename EmbedObject.h -> ChiralSet.h and clean it up a bit

2008-05-18 05:14:40 +00:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00

testDistGeom.cpp

Fixes #167

2013-11-27 07:26:05 +01:00

TriangleSmooth.cpp

Fixes #55

2013-07-02 05:23:56 +02:00

TriangleSmooth.h

Fixes #55

2013-07-02 05:23:56 +02:00