../
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obj/
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400
(21 years ago)
by mmeineke:
*** empty log message ***
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MPIobj/
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400
(21 years ago)
by mmeineke:
*** empty log message ***
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wrappers.F90
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462
(21 years ago)
by gezelter:
bug fixes for compilation
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vector_class.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.
|
simulation_module.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
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randomSPRNG.hpp
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450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
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randomSPRNG.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.
|
neighborLists.F90
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480
(21 years ago)
by chuckv:
Moved expand neighborlist to init_FF.
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mpiSimulation_module.F90
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441
(21 years ago)
by chuckv:
more bug fixes....
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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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mpiSimulation.cpp
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447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
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mpiForceField.h
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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.
|
mpiForceField.c
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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.
|
mpiComponentPlan.h
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405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
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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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fortranWrappers.cpp
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462
(21 years ago)
by gezelter:
bug fixes for compilation
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fortranWrapDefines.hpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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force_globals.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.
|
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.
|
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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fSimulation.h
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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.
|
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.
|
do_Forces.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
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calc_sticky_pair.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
|
calc_reaction_field.F90
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460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
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calc_gb.F90
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460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
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calc_dipole_dipole.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
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calc_LJ_FF.F90
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482
(21 years ago)
by chuckv:
It works (kinda)...
|
atype_module.F90
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462
(21 years ago)
by gezelter:
bug fixes for compilation
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Verlet.cpp
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479
(21 years ago)
by chuckv:
fixes for NVT
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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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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.
|
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.
|
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.
|
Thermo.hpp
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468
(21 years ago)
by gezelter:
Many fixes to add extended system
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Thermo.cpp
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479
(21 years ago)
by chuckv:
fixes for NVT
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Symplectic.cpp
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482
(21 years ago)
by chuckv:
It works (kinda)...
|
StatWriter.cpp
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477
(21 years ago)
by gezelter:
dt/2 fix in 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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SimSetup.cpp
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481
(21 years ago)
by gezelter:
Fixes for NPT / NVT
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SimInfo.hpp
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458
(21 years ago)
by gezelter:
Changes for Extended System
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SimInfo.cpp
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482
(21 years ago)
by chuckv:
It works (kinda)...
|
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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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.
|
Molecule.hpp
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475
(21 years ago)
by gezelter:
Changes to integrate the NVT and NPT ensembles
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Molecule.cpp
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475
(21 years ago)
by gezelter:
Changes to integrate the NVT and NPT ensembles
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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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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.
|
LJ_FF.cpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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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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InitializeFromFile.cpp
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447
(21 years ago)
by mmeineke:
fixed some small things with simError.h
|
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.
|
ForceFields.hpp
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424
(21 years ago)
by mmeineke:
fixing some compile time bugs
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ForceFields.cpp
|
479
(21 years ago)
by chuckv:
fixes for NVT
|
ExtendedSystem.hpp
|
481
(21 years ago)
by gezelter:
Fixes for NPT / NVT
|
ExtendedSystem.cpp
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481
(21 years ago)
by gezelter:
Fixes for NPT / NVT
|
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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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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DumpWriter.cpp
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469
(21 years ago)
by mmeineke:
bug fixes
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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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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.
|
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.
|
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.
|
BendExtensions.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
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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.
|
Atom.hpp
|
413
(21 years ago)
by mmeineke:
fixed a couple of the "static" bugs in Atom and Exclude
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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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AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|