Greg Landrum 6ea808b800 get this building on windows

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

..

AngleBend.cpp

- fixed a bug in Code/ForceField/MMFF/testMMFFForceField.cpp

2014-06-01 16:23:03 +01:00

AngleBend.h

support copying ForceField objects

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

AngleConstraint.cpp

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

AngleConstraint.h

support copying ForceField objects

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

BondStretch.cpp

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

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

BondStretch.h

support copying ForceField objects

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

CMakeLists.txt

get this building on windows

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

Contribs.h

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

DistanceConstraint.cpp

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

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

DistanceConstraint.h

support copying ForceField objects

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

Inversion.cpp

- fixed a bug in Code/ForceField/MMFF/testMMFFForceField.cpp

2014-06-01 16:23:03 +01:00

Inversion.h

support copying ForceField objects

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

Nonbonded.cpp

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

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

Nonbonded.h

support copying ForceField objects

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

Params.cpp

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

Params.h

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

PositionConstraint.cpp

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

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

PositionConstraint.h

support copying ForceField objects

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

test_list.py

- I have made MMFF atom typing more robust since I realized that

2013-09-16 12:08:02 +02:00

testUFFForceField.cpp

update the multithreaded UFF helper to not construct the force field for each conformer

2015-03-11 03:26:50 +01:00

TorsionAngle.cpp

- fixed a bug in Code/ForceField/MMFF/testMMFFForceField.cpp

2014-06-01 16:23:03 +01:00

TorsionAngle.h

support copying ForceField objects

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

TorsionConstraint.cpp

- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp

2014-12-02 22:47:18 +00:00

TorsionConstraint.h

support copying ForceField objects

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