../
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
MPIobj/
|
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
|
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.
|
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.
|
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.
|
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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calc_sticky_pair.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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
|
do_Forces.F90
|
394
(21 years ago)
by gezelter:
electrostatic changes for dipole / RF separation
|
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
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mpiComponentPlan.h
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
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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
|
Atom.hpp
|
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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mpiSimulation_module.F90
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416
(21 years ago)
by gezelter:
bug fixes many bug fixes
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DumpWriter.cpp
|
419
(21 years ago)
by gezelter:
fixes for local->global atom numbering in MPI
|
InitializeFromFile.cpp
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419
(21 years ago)
by gezelter:
fixes for local->global atom numbering in MPI
|
mpiSimulation.hpp
|
422
(21 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
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mpiSimulation.cpp
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422
(21 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
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Integrator.hpp
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423
(21 years ago)
by mmeineke:
I have implemeted Molecules everywhere I could remember to.
will now attempt to compile.
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ForceFields.hpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
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SimInfo.cpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
SimSetup.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
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AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
Molecule.hpp
|
425
(21 years ago)
by mmeineke:
fixed the makefile
|
Makefile
|
425
(21 years ago)
by mmeineke:
fixed the makefile
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SimInfo.hpp
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427
(21 years ago)
by mmeineke:
fixed a few more bugs.
|
LJ_FF.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
Molecule.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
Thermo.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
Symplectic.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
ForceFields.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
TraPPE_ExFF.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
Verlet.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
Exclude.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
|
SimSetup.cpp
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429
(21 years ago)
by mmeineke:
Fixed a single processor segfault bug.
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