 ../
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DumpWriter.cpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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mpiComponentPlan.h
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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InitializeFromFile.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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TorsionExtensions.cpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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Bend.cpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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TraPPEFF.cpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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ReadWrite.hpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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forceFactory.hpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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BendExtensions.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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Bond.cpp
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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mpiForceField.h
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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Torsion.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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BondExtensions.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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StatWriter.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
|
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DipoleTestFF.cpp
|
270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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f_verlet_constrained.f
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270
(21 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Molecule.hpp
|
271
(21 years ago)
by mmeineke:
working on getting this distribution working
|
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Thermo.cpp
|
271
(21 years ago)
by mmeineke:
working on getting this distribution working
|
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randomSPRNG.cpp
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271
(21 years ago)
by mmeineke:
working on getting this distribution working
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Integrator.hpp
|
271
(21 years ago)
by mmeineke:
working on getting this distribution working
|
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Thermo.hpp
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271
(21 years ago)
by mmeineke:
working on getting this distribution working
|
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mpiForceField.c
|
274
(21 years ago)
by mmeineke:
added mpi for libmdCode (still working out the kinks)
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Linux_ifc_machdep.F90
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275
(21 years ago)
by mmeineke:
libmdCode builds.
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randomSPRNG.hpp
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289
(21 years ago)
by mmeineke:
added randomSPRNG.hpp to the package (oops, should have beenthere to begin with.)
added ssdFF++.cpp to the makefile
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mpiSimulation.cpp
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294
(21 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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mpiSimulation.hpp
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294
(21 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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GhostBend.cpp
|
303
(21 years ago)
by mmeineke:
added the ghost bend bend type.
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SRI.hpp
|
311
(21 years ago)
by mmeineke:
finished adding the ghostBend into the TraPPE_Ex force Field
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fSimulation.h
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329
(21 years ago)
by gezelter:
Stick a fork in it. It's rare.
|
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neighborLists.F90
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334
(21 years ago)
by gezelter:
fixes for the exclude lists
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vector_class.F90
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346
(21 years ago)
by chuckv:
vector class tests correctly.
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DirectionalAtom.cpp
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348
(21 years ago)
by mmeineke:
mostly compiles. interface twixt c and fortran is broken. (c needs to be brought up to date with fortran.)
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Atom.hpp
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348
(21 years ago)
by mmeineke:
mostly compiles. interface twixt c and fortran is broken. (c needs to be brought up to date with fortran.)
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fortranWrappers.hpp
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348
(21 years ago)
by mmeineke:
mostly compiles. interface twixt c and fortran is broken. (c needs to be brought up to date with fortran.)
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mpiSimulation_module.F90
|
357
(21 years ago)
by mmeineke:
working on the fortran init ForceField interface.
|
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fForceField.h
|
357
(21 years ago)
by mmeineke:
working on the fortran init ForceField interface.
|
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wrappers.F90
|
359
(21 years ago)
by mmeineke:
adding more to the interface
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calc_sticky_pair.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
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calc_LJ_FF.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
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simulation_module.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
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calc_dipole_dipole.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
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calc_reaction_field.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
|
force_globals.F90
|
361
(21 years ago)
by gezelter:
getNlocal no longer in force_globals
|
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AbstractClasses.hpp
|
362
(21 years ago)
by mmeineke:
shed implementation of the Fortran interfaces.
|
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ForceFields.hpp
|
362
(21 years ago)
by mmeineke:
shed implementation of the Fortran interfaces.
|
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ForceFields.cpp
|
362
(21 years ago)
by mmeineke:
shed implementation of the Fortran interfaces.
|
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atype_module.F90
|
364
(21 years ago)
by gezelter:
added GB
|
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do_Forces.F90
|
364
(21 years ago)
by gezelter:
added GB
|
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calc_gb.F90
|
364
(21 years ago)
by gezelter:
added GB
|
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Makefile.am
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
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LJ_FF.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
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fortranWrapDefines.hpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
SimInfo.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
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fortranWrappers.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
SimInfo.hpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
SimSetup.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
TraPPE_ExFF.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
Symplectic.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
Verlet.cpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
|
SimSetup.hpp
|
365
(21 years ago)
by mmeineke:
some initial bug fixes
|
