../
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obj/
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400
(21 years ago)
by mmeineke:
*** empty log message ***
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MPIobj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
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.
|
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.
|
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.
|
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.
|
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
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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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mpiComponentPlan.h
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405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
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Atom.cpp
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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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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.
|
mpiSimulation.hpp
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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
|
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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SimSetup.hpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
AbstractClasses.hpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
Verlet.cpp
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428
(21 years ago)
by mmeineke:
fixed the compile time bugs, Source builds and links
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Exclude.hpp
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435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
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SRI.hpp
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435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
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BendExtensions.cpp
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438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
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Exclude.cpp
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438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
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mpiSimulation_module.F90
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441
(21 years ago)
by chuckv:
more bug fixes....
|
Symplectic.cpp
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443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
SimSetup.cpp
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443
(21 years ago)
by mmeineke:
dipoles mostly work, but there is a memory leak somewhere.
|
ForceFields.cpp
|
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.
|
Molecule.hpp
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452
(21 years ago)
by mmeineke:
added some little fixes here and there.
|
Thermo.hpp
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454
(21 years ago)
by gezelter:
changes for extended system code
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ExtendedSystem.hpp
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458
(21 years ago)
by gezelter:
Changes for Extended System
|
SimInfo.hpp
|
458
(21 years ago)
by gezelter:
Changes for Extended System
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Thermo.cpp
|
458
(21 years ago)
by gezelter:
Changes for Extended System
|
ExtendedSystem.cpp
|
458
(21 years ago)
by gezelter:
Changes for Extended System
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neighborLists.F90
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459
(21 years ago)
by mmeineke:
fixed a memory read bug in neighborlist
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calc_sticky_pair.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
calc_dipole_dipole.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
simulation_module.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
calc_LJ_FF.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
calc_gb.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
calc_reaction_field.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
fortranWrappers.hpp
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461
(21 years ago)
by gezelter:
bug fixes to fortran wrappers
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wrappers.F90
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
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fortranWrappers.cpp
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462
(21 years ago)
by gezelter:
bug fixes for compilation
|
Makefile
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462
(21 years ago)
by gezelter:
bug fixes for compilation
|
atype_module.F90
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462
(21 years ago)
by gezelter:
bug fixes for compilation
|
do_Forces.F90
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
|
LJ_FF.cpp
|
463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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fortranWrapDefines.hpp
|
463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
|
SimInfo.cpp
|
463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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TraPPE_ExFF.cpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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