Greg Landrum e37296d7c7 post review

2015-11-14 08:08:14 +01:00

..

Wrap

merge #641

2015-11-14 05:03:24 +01:00

CMakeLists.txt

use SP3 params as default for sulfur; add tests for #485;

2015-04-21 06:48:52 +02:00

GasteigerCharges.cpp

use SP3 params as default for sulfur; add tests for #485;

2015-04-21 06:48:52 +02:00

GasteigerCharges.h

move the _VSA descriptors into C++

2011-03-21 05:02:12 +00:00

GasteigerParams.cpp

Suppresses Boost warnings

2015-10-18 13:41:03 -04:00

GasteigerParams.h

throw sensible exceptions from the gasteiger param code (part of #485)

2015-04-21 06:28:11 +02:00

test1.cpp

post review

2015-11-14 08:08:14 +01:00