 ../
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
MPIobj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
wrappers.F90
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
|
|
vector_class.F90
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
simulation_module.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
randomSPRNG.hpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
|
randomSPRNG.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
neighborLists.F90
|
480
(21 years ago)
by chuckv:
Moved expand neighborlist to init_FF.
|
|
mpiSimulation_module.F90
|
441
(21 years ago)
by chuckv:
more bug fixes....
|
|
mpiSimulation.hpp
|
422
(21 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
|
|
mpiSimulation.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
mpiForceField.h
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
mpiForceField.c
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
mpiComponentPlan.h
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
|
|
fortranWrappers.hpp
|
461
(21 years ago)
by gezelter:
bug fixes to fortran wrappers
|
|
fortranWrappers.cpp
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
|
|
fortranWrapDefines.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
force_globals.F90
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
forceFactory.hpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
f_verlet_constrained.F90
|
389
(21 years ago)
by mmeineke:
fixed bug where short range interactions were not being calculated.
removed some debug print statements
|
|
fSimulation.h
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
fForceField.h
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
do_Forces.F90
|
482
(21 years ago)
by chuckv:
It works (kinda)...
|
|
calc_sticky_pair.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
calc_reaction_field.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
calc_gb.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
calc_dipole_dipole.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
calc_LJ_FF.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
atype_module.F90
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
|
|
Verlet.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
TraPPE_ExFF.cpp
|
463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
|
|
TraPPEFF.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
TorsionExtensions.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
Torsion.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
Thermo.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Thermo.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Symplectic.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
StatWriter.cpp
|
477
(21 years ago)
by gezelter:
dt/2 fix in nvt
|
|
SimSetup.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
SimSetup.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
SimInfo.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
SimInfo.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
SRI.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
ReadWrite.hpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
Molecule.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Molecule.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Makefile
|
466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
|
|
Linux_ifc_machdep.F90
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
LJ_FF.cpp
|
463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
|
|
Integrator.hpp
|
466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
|
|
InitializeFromFile.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
GhostBend.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
ForceFields.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
ForceFields.cpp
|
479
(21 years ago)
by chuckv:
fixes for NVT
|
|
ExtendedSystem.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
ExtendedSystem.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Exclude.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
Exclude.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
|
DumpWriter.cpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
DirectionalAtom.cpp
|
414
(21 years ago)
by mmeineke:
the skeleton for making the molecules is in place. ForceField needs to be updated next.
|
|
DipoleTestFF.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
BondExtensions.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
Bond.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
BendExtensions.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
|
Bend.cpp
|
378
(21 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
Atom.hpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
|
|
Atom.cpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
|
|
AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
