 ../
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
MPIobj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
neighborLists.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.
|
|
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.
|
|
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.
|
|
fortranWrapDefines.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.
|
|
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.
|
|
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.
|
|
wrappers.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.
|
|
fortranWrappers.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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
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.
|
|
fortranWrappers.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.
|
|
calc_LJ_FF.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.
|
|
atype_module.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.
|
|
StatWriter.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.
|
|
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.
|
|
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.
|
|
calc_gb.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.
|
|
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.
|
|
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.
|
|
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
|
|
calc_reaction_field.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
|
Thermo.hpp
|
403
(21 years ago)
by chuckv:
Fixes for Parallel thermalization
|
|
mpiComponentPlan.h
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
|
|
Atom.cpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
|
|
Atom.hpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
|
|
DirectionalAtom.cpp
|
414
(21 years ago)
by mmeineke:
the skeleton for making the molecules is in place. ForceField needs to be updated next.
|
|
mpiSimulation.hpp
|
422
(21 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
|
|
Integrator.hpp
|
423
(21 years ago)
by mmeineke:
I have implemeted Molecules everywhere I could remember to.
will now attempt to compile.
|
|
ForceFields.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
SimSetup.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
SimInfo.hpp
|
427
(21 years ago)
by mmeineke:
fixed a few more bugs.
|
|
Verlet.cpp
|
428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
|
Exclude.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
simulation_module.F90
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
SRI.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
BendExtensions.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
|
Exclude.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
|
mpiSimulation_module.F90
|
441
(21 years ago)
by chuckv:
more bug fixes....
|
|
do_Forces.F90
|
441
(21 years ago)
by chuckv:
more bug fixes....
|
|
Symplectic.cpp
|
443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
|
calc_sticky_pair.F90
|
443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
|
calc_dipole_dipole.F90
|
443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
|
SimInfo.cpp
|
443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
|
SimSetup.cpp
|
443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
|
LJ_FF.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
Thermo.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
ForceFields.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
Makefile
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
InitializeFromFile.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
mpiSimulation.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
|
DumpWriter.cpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
|
randomSPRNG.hpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
|
Molecule.cpp
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450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
|
TraPPE_ExFF.cpp
|
451
(21 years ago)
by mmeineke:
fixed a possible call before initialize bug.
|
|
Molecule.hpp
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452
(21 years ago)
by mmeineke:
added some little fixes here and there.
|
|
ExtendedSystem.cpp
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453
(21 years ago)
by gezelter:
renamed nvt to extendedsystem
|
