Paolo Tosco b7ca51d98c - modified BFGSOpt.h to remove a while(1) {} loop which might result ...

into an infinite loop in linearSearch() with poor initial geometries
- added a relevant unit test in Code/ForceField/Wrap/testConstraints.py

2015-04-20 23:46:23 +01:00

..

MMFF

get this building on windows

2015-03-15 06:57:24 +01:00

UFF

get this building on windows

2015-03-15 06:57:24 +01:00

Wrap

- modified BFGSOpt.h to remove a while(1) {} loop which might result

2015-04-20 23:46:23 +01:00

CMakeLists.txt

- added relative DistanceConstraints (i.e., +/- with respect

2013-12-02 19:58:29 +01:00

Contrib.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00

ForceField.cpp

support copying ForceField objects

2015-03-11 03:06:32 +01:00

ForceField.h

support copying ForceField objects

2015-03-11 03:06:32 +01:00