 ../
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
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.
|
|
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
|
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
|
405
(21 years ago)
by gezelter:
MPI stuff for passing out molecules
|
|
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
|
|
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
|
422
(21 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
|
|
ForceFields.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
SimSetup.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
AbstractClasses.hpp
|
424
(21 years ago)
by mmeineke:
fixing some compile time bugs
|
|
Exclude.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
SRI.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
BendExtensions.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
|
Exclude.cpp
|
438
(21 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
|
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mpiSimulation_module.F90
|
441
(21 years ago)
by chuckv:
more bug fixes....
|
|
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
|
|
randomSPRNG.hpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
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SimInfo.hpp
|
458
(21 years ago)
by gezelter:
Changes for Extended System
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neighborLists.F90
|
459
(21 years ago)
by mmeineke:
fixed a memory read bug in neighborlist
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simulation_module.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
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calc_LJ_FF.F90
|
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_reaction_field.F90
|
460
(21 years ago)
by chuckv:
Breaking c and fortran, c gets smarter, fortran gets dumber...
|
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fortranWrappers.hpp
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461
(21 years ago)
by gezelter:
bug fixes to fortran wrappers
|
|
wrappers.F90
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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
|
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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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LJ_FF.cpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
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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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TraPPE_ExFF.cpp
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463
(21 years ago)
by gezelter:
Bug fixes for simulation module rewrites
|
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ExtendedSystem.hpp
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466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
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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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Makefile
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466
(21 years ago)
by gezelter:
Added ExtendedSystem infrastructure for NPT and NVT calculations
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Molecule.hpp
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468
(21 years ago)
by gezelter:
Many fixes to add extended system
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Molecule.cpp
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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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468
(21 years ago)
by gezelter:
Many fixes to add extended system
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StatWriter.cpp
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468
(21 years ago)
by gezelter:
Many fixes to add extended system
|
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Thermo.hpp
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468
(21 years ago)
by gezelter:
Many fixes to add extended system
|
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DumpWriter.cpp
|
469
(21 years ago)
by mmeineke:
bug fixes
|
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Symplectic.cpp
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469
(21 years ago)
by mmeineke:
bug fixes
|
|
calc_sticky_pair.F90
|
469
(21 years ago)
by mmeineke:
bug fixes
|
|
calc_dipole_dipole.F90
|
469
(21 years ago)
by mmeineke:
bug fixes
|
|
SimInfo.cpp
|
469
(21 years ago)
by mmeineke:
bug fixes
|
|
SimSetup.cpp
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469
(21 years ago)
by mmeineke:
bug fixes
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|
do_Forces.F90
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470
(21 years ago)
by chuckv:
Fixed transpose bug in mpi reduce for tau and virial.
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|
ExtendedSystem.cpp
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471
(21 years ago)
by gezelter:
Working on NVT
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Verlet.cpp
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471
(21 years ago)
by gezelter:
Working on NVT
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