 ../
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MPIobj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
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
|
|
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.
|
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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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Bond.cpp
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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.
|
|
BondExtensions.cpp
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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.
|
|
DipoleTestFF.cpp
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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.
|
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DirectionalAtom.cpp
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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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DumpWriter.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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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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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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ExtendedSystem.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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ExtendedSystem.hpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
ForceFields.cpp
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479
(21 years ago)
by chuckv:
fixes for NVT
|
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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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GhostBend.cpp
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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.
|
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InitializeFromFile.cpp
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447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
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Integrator.hpp
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466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
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LJ_FF.cpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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Linux_ifc_machdep.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.
|
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Makefile
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466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
|
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Molecule.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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Molecule.hpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
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.
|
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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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SimInfo.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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SimInfo.hpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
SimSetup.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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SimSetup.hpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
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StatWriter.cpp
|
477
(21 years ago)
by gezelter:
dt/2 fix in nvt
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Symplectic.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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Thermo.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
Thermo.hpp
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
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.
|
|
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.
|
|
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.
|
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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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Verlet.cpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
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atype_module.F90
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462
(21 years ago)
by gezelter:
bug fixes for compilation
|
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calc_LJ_FF.F90
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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calc_dipole_dipole.F90
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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calc_gb.F90
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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calc_reaction_field.F90
|
483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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calc_sticky_pair.F90
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
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do_Forces.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
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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.
|
|
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.
|
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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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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.
|
|
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.
|
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fortranWrapDefines.hpp
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
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fortranWrappers.cpp
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
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fortranWrappers.hpp
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461
(21 years ago)
by gezelter:
bug fixes to fortran wrappers
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mpiComponentPlan.h
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
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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.
|
|
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.
|
|
mpiSimulation.cpp
|
447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
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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_module.F90
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441
(21 years ago)
by chuckv:
more bug fixes....
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neighborLists.F90
|
480
(21 years ago)
by chuckv:
Moved expand neighborlist to init_FF.
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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.
|
|
randomSPRNG.hpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
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simulation_module.F90
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483
(21 years ago)
by gezelter:
fixes for NPT and NVT
|
|
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.
|
|
wrappers.F90
|
462
(21 years ago)
by gezelter:
bug fixes for compilation
|
