 ../
|
obj/
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400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
MPIobj/
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400
(21 years ago)
by mmeineke:
*** empty log message ***
|
randomSPRNG.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.
|
|
neighborLists.F90
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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
|
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.
|
|
Symplectic.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.
|
|
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.
|
|
ForceFields.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.
|
|
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.
|
|
BendExtensions.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.
|
|
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.
|
|
Integrator.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.
|
|
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.
|
|
Verlet.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.
|
|
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.
|
|
AbstractClasses.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.
|
|
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.
|
|
SRI.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_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
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ForceFields.cpp
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393
(21 years ago)
by mmeineke:
little bug fixes here and there
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calc_sticky_pair.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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calc_dipole_dipole.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
|
simulation_module.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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TraPPE_ExFF.cpp
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394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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do_Forces.F90
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394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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calc_reaction_field.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
|
SimInfo.cpp
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402
(21 years ago)
by mmeineke:
fixed an mpi include bug in THermo.cpp
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Thermo.cpp
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403
(21 years ago)
by chuckv:
Fixes for Parallel thermalization
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Thermo.hpp
|
403
(21 years ago)
by chuckv:
Fixes for Parallel thermalization
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mpiComponentPlan.h
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
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|
SimSetup.hpp
|
407
(21 years ago)
by mmeineke:
I'm overhauling the molecule class to contain it's own bonds, bends, and torsions.
may god have mercy on my soul.
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Makefile
|
411
(21 years ago)
by gezelter:
Added Atom.cpp and Exclude.cpp
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SimInfo.hpp
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412
(21 years ago)
by mmeineke:
still working on the SimSetup routine. also fixed some things in Exclude.hpp
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Exclude.hpp
|
412
(21 years ago)
by mmeineke:
still working on the SimSetup routine. also fixed some things in Exclude.hpp
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Atom.cpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
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|
Atom.hpp
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413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
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DirectionalAtom.cpp
|
414
(21 years ago)
by mmeineke:
the skeleton for making the molecules is in place. ForceField needs to be updated next.
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SimSetup.cpp
|
414
(21 years ago)
by mmeineke:
the skeleton for making the molecules is in place. ForceField needs to be updated next.
|
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mpiSimulation_module.F90
|
416
(21 years ago)
by gezelter:
bug fixes many bug fixes
|
|
Molecule.hpp
|
416
(21 years ago)
by gezelter:
bug fixes many bug fixes
|
|
mpiSimulation.hpp
|
416
(21 years ago)
by gezelter:
bug fixes many bug fixes
|
|
Exclude.cpp
|
416
(21 years ago)
by gezelter:
bug fixes many bug fixes
|
|
DumpWriter.cpp
|
417
(21 years ago)
by gezelter:
Fixes to fileio for MPI
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InitializeFromFile.cpp
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417
(21 years ago)
by gezelter:
Fixes to fileio for MPI
|
|
mpiSimulation.cpp
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418
(21 years ago)
by mmeineke:
little bug fixes here and there.
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