| Path | Details |
|---|---|
 trunk/mdtools/
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| trunk/mdtools/BASS_parse/
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 trunk/mdtools/BASS_parse/BASS.l
(Copied from branches/mmeineke/mdtools/BASS_parse/BASS.l, r10) |
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| trunk/mdtools/BASS_parse/BASS.y
(Copied from branches/mmeineke/mdtools/BASS_parse/BASS.y, r10) |
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| trunk/mdtools/BASS_parse/BASS_parse.c
(Copied from branches/mmeineke/mdtools/BASS_parse/BASS_parse.c, r10) |
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| trunk/mdtools/BASS_parse/BASS_parse.h
(Copied from branches/mmeineke/mdtools/BASS_parse/BASS_parse.h, r10) |
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| trunk/mdtools/BASS_parse/Makefile
(Copied from branches/mmeineke/mdtools/BASS_parse/Makefile, r10) |
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| trunk/mdtools/BASS_parse/interface.c
(Copied from branches/mmeineke/mdtools/BASS_parse/interface.c, r10) |
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| trunk/mdtools/BASS_parse/interface.h
(Copied from branches/mmeineke/mdtools/BASS_parse/interface.h, r10) |
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| trunk/mdtools/BASS_parse/make_nodes.c
(Copied from branches/mmeineke/mdtools/BASS_parse/make_nodes.c, r10) |
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| trunk/mdtools/BASS_parse/make_nodes.h
(Copied from branches/mmeineke/mdtools/BASS_parse/make_nodes.h, r10) |
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| trunk/mdtools/BASS_parse/node_list.h
(Copied from branches/mmeineke/mdtools/BASS_parse/node_list.h, r10) |
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| trunk/mdtools/BASS_parse/parse_tree.c
(Copied from branches/mmeineke/mdtools/BASS_parse/parse_tree.c, r10) |
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| trunk/mdtools/BASS_parse/parse_tree.h
(Copied from branches/mmeineke/mdtools/BASS_parse/parse_tree.h, r10) |
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| trunk/mdtools/Makefile
(Copied from branches/mmeineke/mdtools/Makefile, r10) |
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| trunk/mdtools/generic_stamps/
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| trunk/mdtools/generic_stamps/AtomStamp.cpp
(Copied from branches/mmeineke/mdtools/generic_stamps/AtomStamp.cpp, r10) |
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| trunk/mdtools/generic_stamps/BendStamp.cpp
(Copied from branches/mmeineke/mdtools/generic_stamps/BendStamp.cpp, r10) |
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| trunk/mdtools/generic_stamps/BondStamp.cpp
(Copied from branches/mmeineke/mdtools/generic_stamps/BondStamp.cpp, r10) |
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| trunk/mdtools/generic_stamps/Makefile
(Copied from branches/mmeineke/mdtools/generic_stamps/Makefile, r10) |
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| trunk/mdtools/generic_stamps/MoleculeStamp.cpp
(Copied from branches/mmeineke/mdtools/generic_stamps/MoleculeStamp.cpp, r10) |
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| trunk/mdtools/generic_stamps/TorsionStamp.cpp
(Copied from branches/mmeineke/mdtools/generic_stamps/TorsionStamp.cpp, r10) |
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| trunk/mdtools/headers/
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| trunk/mdtools/headers/AbstractClasses.hpp
(Copied from branches/mmeineke/mdtools/headers/AbstractClasses.hpp, r10) |
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| trunk/mdtools/headers/Afine.hpp
(Copied from branches/mmeineke/mdtools/headers/Afine.hpp, r10) |
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| trunk/mdtools/headers/Atom.hpp
(Copied from branches/mmeineke/mdtools/headers/Atom.hpp, r10) |
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| trunk/mdtools/headers/AtomStamp.hpp
(Copied from branches/mmeineke/mdtools/headers/AtomStamp.hpp, r10) |
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| trunk/mdtools/headers/BASS_interface.h
(Copied from branches/mmeineke/mdtools/headers/BASS_interface.h, r10) |
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| trunk/mdtools/headers/BendStamp.hpp
(Copied from branches/mmeineke/mdtools/headers/BendStamp.hpp, r10) |
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| trunk/mdtools/headers/BondStamp.hpp
(Copied from branches/mmeineke/mdtools/headers/BondStamp.hpp, r10) |
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| trunk/mdtools/headers/Component.hpp
(Copied from branches/mmeineke/mdtools/headers/Component.hpp, r10) |
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| trunk/mdtools/headers/ForceFields.hpp
(Copied from branches/mmeineke/mdtools/headers/ForceFields.hpp, r10) |
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| trunk/mdtools/headers/Globals.hpp
(Copied from branches/mmeineke/mdtools/headers/Globals.hpp, r10) |
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| trunk/mdtools/headers/Integrator.hpp
(Copied from branches/mmeineke/mdtools/headers/Integrator.hpp, r10) |
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| trunk/mdtools/headers/LRI.hpp
(Copied from branches/mmeineke/mdtools/headers/LRI.hpp, r10) |
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| trunk/mdtools/headers/LinkedAssign.hpp
(Copied from branches/mmeineke/mdtools/headers/LinkedAssign.hpp, r10) |
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| trunk/mdtools/headers/LinkedCommand.hpp
(Copied from branches/mmeineke/mdtools/headers/LinkedCommand.hpp, r10) |
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| trunk/mdtools/headers/MakeStamps.hpp
(Copied from branches/mmeineke/mdtools/headers/MakeStamps.hpp, r10) |
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| trunk/mdtools/headers/Makefile
(Copied from branches/mmeineke/mdtools/headers/Makefile, r10) |
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| trunk/mdtools/headers/Molecule.hpp
(Copied from branches/mmeineke/mdtools/headers/Molecule.hpp, r10) |
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| trunk/mdtools/headers/MoleculeStamp.hpp
(Copied from branches/mmeineke/mdtools/headers/MoleculeStamp.hpp, r10) |
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| trunk/mdtools/headers/ReadWrite.hpp
(Copied from branches/mmeineke/mdtools/headers/ReadWrite.hpp, r10) |
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| trunk/mdtools/headers/SRI.hpp
(Copied from branches/mmeineke/mdtools/headers/SRI.hpp, r10) |
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| trunk/mdtools/headers/SimInfo.hpp
(Copied from branches/mmeineke/mdtools/headers/SimInfo.hpp, r10) |
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| trunk/mdtools/headers/SimSetup.hpp
(Copied from branches/mmeineke/mdtools/headers/SimSetup.hpp, r10) |
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| trunk/mdtools/headers/Thermo.hpp
(Copied from branches/mmeineke/mdtools/headers/Thermo.hpp, r10) |
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| trunk/mdtools/headers/TorsionStamp.hpp
(Copied from branches/mmeineke/mdtools/headers/TorsionStamp.hpp, r10) |
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| trunk/mdtools/headers/parse_me.h
(Copied from branches/mmeineke/mdtools/headers/parse_me.h, r10) |
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| trunk/mdtools/interface_implementation/
|
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| trunk/mdtools/interface_implementation/BASS_interface.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/BASS_interface.cpp, r10) |
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| trunk/mdtools/interface_implementation/Component.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/Component.cpp, r10) |
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| trunk/mdtools/interface_implementation/DipoleTestFF.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/DipoleTestFF.cpp, r10) |
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| trunk/mdtools/interface_implementation/Globals.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/Globals.cpp, r10) |
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| trunk/mdtools/interface_implementation/LinkedAssign.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/LinkedAssign.cpp, r10) |
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| trunk/mdtools/interface_implementation/LinkedCommand.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/LinkedCommand.cpp, r10) |
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| trunk/mdtools/interface_implementation/MakeStamps.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/MakeStamps.cpp, r10) |
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| trunk/mdtools/interface_implementation/Makefile
(Copied from branches/mmeineke/mdtools/interface_implementation/Makefile, r10) |
added |
| trunk/mdtools/interface_implementation/SimSetup.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/SimSetup.cpp, r10) |
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| trunk/mdtools/interface_implementation/TraPPEFF.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/TraPPEFF.cpp, r10) |
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| trunk/mdtools/interface_implementation/TraPPE_ExFF.cpp
(Copied from branches/mmeineke/mdtools/interface_implementation/TraPPE_ExFF.cpp, r10) |
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| trunk/mdtools/md_code/
|
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| trunk/mdtools/md_code/AllLong.cpp
(Copied from branches/mmeineke/mdtools/md_code/AllLong.cpp, r10) |
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| trunk/mdtools/md_code/Bend.cpp
(Copied from branches/mmeineke/mdtools/md_code/Bend.cpp, r10) |
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| trunk/mdtools/md_code/BendExtensions.cpp
(Copied from branches/mmeineke/mdtools/md_code/BendExtensions.cpp, r10) |
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| trunk/mdtools/md_code/Bond.cpp
(Copied from branches/mmeineke/mdtools/md_code/Bond.cpp, r10) |
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| trunk/mdtools/md_code/BondExtensions.cpp
(Copied from branches/mmeineke/mdtools/md_code/BondExtensions.cpp, r10) |
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| trunk/mdtools/md_code/DirectionalAtom.cpp
(Copied from branches/mmeineke/mdtools/md_code/DirectionalAtom.cpp, r10) |
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| trunk/mdtools/md_code/DumpWriter.cpp
(Copied from branches/mmeineke/mdtools/md_code/DumpWriter.cpp, r10) |
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| trunk/mdtools/md_code/InitializeFromFile.cpp
(Copied from branches/mmeineke/mdtools/md_code/InitializeFromFile.cpp, r10) |
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| trunk/mdtools/md_code/Makefile
(Copied from branches/mmeineke/mdtools/md_code/Makefile, r10) |
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| trunk/mdtools/md_code/StatWriter.cpp
(Copied from branches/mmeineke/mdtools/md_code/StatWriter.cpp, r10) |
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| trunk/mdtools/md_code/Symplectic.cpp
(Copied from branches/mmeineke/mdtools/md_code/Symplectic.cpp, r10) |
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| trunk/mdtools/md_code/Thermo.cpp
(Copied from branches/mmeineke/mdtools/md_code/Thermo.cpp, r10) |
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| trunk/mdtools/md_code/Torsion.cpp
(Copied from branches/mmeineke/mdtools/md_code/Torsion.cpp, r10) |
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| trunk/mdtools/md_code/TorsionExtensions.cpp
(Copied from branches/mmeineke/mdtools/md_code/TorsionExtensions.cpp, r10) |
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| trunk/mdtools/md_code/Verlet.cpp
(Copied from branches/mmeineke/mdtools/md_code/Verlet.cpp, r10) |
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| trunk/mdtools/md_code/f_LJ.f90
(Copied from branches/mmeineke/mdtools/md_code/f_LJ.f90, r10) |
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| trunk/mdtools/md_code/f_VDW.f90
(Copied from branches/mmeineke/mdtools/md_code/f_VDW.f90, r10) |
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| trunk/mdtools/md_code/f_dipole.f90
(Copied from branches/mmeineke/mdtools/md_code/f_dipole.f90, r10) |
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| trunk/mdtools/md_code/f_longRange.f90
(Copied from branches/mmeineke/mdtools/md_code/f_longRange.f90, r10) |
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| trunk/mdtools/md_code/f_reactionField.f90
(Copied from branches/mmeineke/mdtools/md_code/f_reactionField.f90, r10) |
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| trunk/mdtools/md_code/f_ssd.inc
(Copied from branches/mmeineke/mdtools/md_code/f_ssd.inc, r10) |
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| trunk/mdtools/md_code/f_ssdForces.f90
(Copied from branches/mmeineke/mdtools/md_code/f_ssdForces.f90, r10) |
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| trunk/mdtools/md_code/f_verlet_constrained.f
(Copied from branches/mmeineke/mdtools/md_code/f_verlet_constrained.f, r10) |
added |