../
|
Makefile
|
1957
(19 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
GhostTorsion.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Molecule.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Bend.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Atom.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Molecule.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Atom.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
DirectionalAtom.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
DirectionalAtom.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Torsion.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
UreyBradleyBend.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
GhostBend.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Torsion.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
GhostTorsion.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
CutoffGroup.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
UreyBradleyBend.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
GhostBend.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Bend.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
Bond.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
StuntDouble.cpp
|
2982
(18 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
|
StuntDouble.hpp
|
3110
(17 years ago)
by chuckv:
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
|
RigidBody.hpp
|
3126
(17 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
|
3126
(17 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...
|