 ../
|
UreyBradleyBend.hpp
|
963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
UreyBradleyBend.cpp
|
963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
Torsion.hpp
|
963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
Torsion.cpp
|
1290
(16 years ago)
by cli2:
Inversion fixes and amber mostly working
|
|
StuntDouble.hpp
|
1245
(17 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
|
|
StuntDouble.cpp
|
1245
(17 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
|
|
RigidBody.hpp
|
1126
(18 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
|
|
RigidBody.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Molecule.hpp
|
1275
(17 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
|
|
Molecule.cpp
|
1277
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
|
|
Makefile
|
1275
(17 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
|
|
Inversion.hpp
|
1275
(17 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
|
|
Inversion.cpp
|
1305
(16 years ago)
by skuang:
A few simple mods to remove gcc compile warnings
|
|
GhostTorsion.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
GhostTorsion.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
GhostBend.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
GhostBend.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Element.hpp
|
1282
(16 years ago)
by gezelter:
Many fixes
|
|
DirectionalAtom.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
DirectionalAtom.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
CutoffGroup.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Bond.hpp
|
1290
(16 years ago)
by cli2:
Inversion fixes and amber mostly working
|
|
Bend.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Bend.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Atom.hpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
|
Atom.cpp
|
1211
(17 years ago)
by gezelter:
A few formatting changes to prettify the code
|
