 ../
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AbstractClasses.hpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Atom.hpp
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299
(22 years ago)
by mmeineke:
implemented the new fortran force interface
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Bend.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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BendExtensions.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Bond.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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BondExtensions.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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DipoleTestFF.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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DirectionalAtom.cpp
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299
(22 years ago)
by mmeineke:
implemented the new fortran force interface
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DumpWriter.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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ForceFields.cpp
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299
(22 years ago)
by mmeineke:
implemented the new fortran force interface
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ForceFields.hpp
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308
(22 years ago)
by mmeineke:
Added ghostBend into SimSetup. only need to add awareness to TraPPE_Ex
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GhostBend.cpp
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303
(22 years ago)
by mmeineke:
added the ghost bend bend type.
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InitializeFromFile.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Integrator.hpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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LJ_FF.cpp
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299
(22 years ago)
by mmeineke:
implemented the new fortran force interface
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Linux_ifc_machdep.F90
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275
(22 years ago)
by mmeineke:
libmdCode builds.
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Makefile.am
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300
(22 years ago)
by mmeineke:
added fortranWrappers and Forcefield.cpp to the makefile
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Molecule.hpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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ReadWrite.hpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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SRI.hpp
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303
(22 years ago)
by mmeineke:
added the ghost bend bend type.
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SimInfo.cpp
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294
(22 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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SimInfo.hpp
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294
(22 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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SimSetup.cpp
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308
(22 years ago)
by mmeineke:
Added ghostBend into SimSetup. only need to add awareness to TraPPE_Ex
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SimSetup.hpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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StatWriter.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Symplectic.cpp
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273
(22 years ago)
by mmeineke:
added some checks for libmpich and got single processor to build in libmdCode
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Thermo.cpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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Thermo.hpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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Torsion.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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TorsionExtensions.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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TraPPEFF.cpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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TraPPE_ExFF.cpp
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296
(22 years ago)
by mmeineke:
dded more static arrays to the Atom class;
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TraPPE_ExFF_module.F90
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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Verlet.cpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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atype_typedefs.F90
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306
(22 years ago)
by chuckv:
More changes to code. Hopefully these will commit smoothly.
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calc_LJ_FF.F90
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306
(22 years ago)
by chuckv:
More changes to code. Hopefully these will commit smoothly.
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calc_dipole_dipole.F90
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307
(22 years ago)
by chuckv:
Changed names of calculation modules for do_Forces.
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calc_reaction_field.F90
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307
(22 years ago)
by chuckv:
Changed names of calculation modules for do_Forces.
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do_Forces.F90
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306
(22 years ago)
by chuckv:
More changes to code. Hopefully these will commit smoothly.
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fSimulation.h
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285
(22 years ago)
by mmeineke:
OOPSE has been braought up to date with the mdtools devfelopment tree. mdtools should no longer be used. All development should take place in the OOPSE tree.
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f_verlet_constrained.f
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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forceFactory.hpp
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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forceGlobals.F90
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306
(22 years ago)
by chuckv:
More changes to code. Hopefully these will commit smoothly.
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fortranWrapDefines.hpp
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296
(22 years ago)
by mmeineke:
dded more static arrays to the Atom class;
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fortranWrappers.cpp
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294
(22 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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fortranWrappers.hpp
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294
(22 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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generic_list_functions.i90
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298
(22 years ago)
by chuckv:
More code clean-up.
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generic_list_recombination.F90
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298
(22 years ago)
by chuckv:
More code clean-up.
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mpiComponentPlan.h
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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mpiForceField.c
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274
(22 years ago)
by mmeineke:
added mpi for libmdCode (still working out the kinks)
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mpiForceField.h
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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mpiSimulation.cpp
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294
(22 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
(22 years ago)
by mmeineke:
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively
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mpiSimulation_module.F90
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285
(22 years ago)
by mmeineke:
OOPSE has been braought up to date with the mdtools devfelopment tree. mdtools should no longer be used. All development should take place in the OOPSE tree.
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neighborLists.F90
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288
(22 years ago)
by chuckv:
Changed lj_FF to use new neighbor list module.
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randomSPRNG.cpp
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271
(22 years ago)
by mmeineke:
working on getting this distribution working
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randomSPRNG.hpp
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289
(22 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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simulation_module.F90
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295
(22 years ago)
by chuckv:
Split force loop into subroutines. Moved wrap out of simulation module.
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ssdFF++.cpp
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291
(22 years ago)
by mmeineke:
overhauled TraPPE_Ex forcfield in C++
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ssd_FF.F90
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270
(22 years ago)
by mmeineke:
added libmdCode and a couple help scripts
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wrappers.F90
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293
(22 years ago)
by mmeineke:
cleaning up all of the function wrapping
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