| File |
Last Change
|
|---|---|
 ../
|
|
CutoffGroup.hpp
|
1734 (19 years ago) by tim: MoleculeCreator forget to create CutoffGroups for free atoms |
|
UreyBradleyBend.hpp
|
1782 (19 years ago) by tim: types and primitives get built |
|
Makefile
|
1782 (19 years ago) by tim: types and primitives get built |
|
UreyBradleyBend.cpp
|
1782 (19 years ago) by tim: types and primitives get built |
|
DirectionalAtom.cpp
|
1816 (19 years ago) by tim: spell check |
|
DirectionalAtom.hpp
|
1816 (19 years ago) by tim: spell check |
|
RigidBody.hpp
|
1823 (19 years ago) by tim: begin to fix linking problem |
|
GhostBend.cpp
|
1832 (19 years ago) by tim: still have two linking problem |
|
GhostBend.hpp
|
1832 (19 years ago) by tim: still have two linking problem |
|
Torsion.hpp
|
1843 (19 years ago) by tim: more missing function get implemented |
|
Atom.cpp
|
1846 (19 years ago) by tim: Dump2Xyz is also working, energy of NVE is not conserved |
|
Atom.hpp
|
1856 (19 years ago) by tim: fix a bug in Exclude List |
|
Bend.cpp
|
1857 (19 years ago) by tim: short range interaction for butane is correct.Still something wrong with long range one |
|
Torsion.cpp
|
1859 (19 years ago) by tim: fix atom type ident in Charge and Dipole Module |
|
StuntDouble.cpp
|
1883 (19 years ago) by tim: MPI version is built |
|
StuntDouble.hpp
|
1883 (19 years ago) by tim: MPI version is built |
|
RigidBody.cpp
|
1883 (19 years ago) by tim: MPI version is built |
|
Bond.hpp
|
1883 (19 years ago) by tim: MPI version is built |
|
Bend.hpp
|
1883 (19 years ago) by tim: MPI version is built |
|
Molecule.cpp
|
1901 (19 years ago) by tim: constraints in progress |
|
Molecule.hpp
|
1901 (19 years ago) by tim: constraints in progress |