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2/19/2003 - finished porting the packge into autoconf and automake. Incremented version to 0.6 |
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2003-03-21 14:58 gezelter |
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2/13/2003 - Starting to port the package into the OOPSE distribution |
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* LICENSE: Added license file |
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2003-03-21 14:55 gezelter |
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* forceFields/Makefile: Fixed makefile |
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2003-03-21 14:49 gezelter |
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* forceFields/Makefile: Makefile for forceFields |
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2003-03-21 14:42 gezelter |
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* README: Readme changes |
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2003-03-21 12:52 mmeineke |
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* src/Makefile: [no log message] |
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2003-03-21 12:52 mmeineke |
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* libBASS/Makefile, libmdtools/Makefile: Makefile fixes for depends |
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2003-03-21 12:42 mmeineke |
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* AUTHORS, ChangeLog, NEWS, Makefile, README, |
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ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess, |
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ac-tools/config.h.in, ac-tools/config.sub, ac-tools/configure.in, |
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ac-tools/install-sh, forceFields/DipoleTest.frc, |
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forceFields/LJ_FF.frc, forceFields/TraPPE.frc, |
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forceFields/TraPPE_Ex.frc, libBASS/AtomStamp.cpp, |
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libBASS/AtomStamp.hpp, libBASS/BASS_interface.cpp, |
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libBASS/BASS_interface.h, libBASS/BASS_parse.c, |
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libBASS/BASS_parse.h, libBASS/BASSlex.l, libBASS/BASSyacc.y, |
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libBASS/BendStamp.cpp, libBASS/BendStamp.hpp, |
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libBASS/BondStamp.cpp, libBASS/BondStamp.hpp, |
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libBASS/Component.cpp, libBASS/Component.hpp, libBASS/Globals.cpp, |
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libBASS/Globals.hpp, libBASS/LinkedAssign.cpp, |
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libBASS/LinkedAssign.hpp, libBASS/LinkedCommand.cpp, |
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libBASS/LinkedCommand.hpp, libBASS/MakeStamps.cpp, |
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libBASS/MakeStamps.hpp, libBASS/Makefile, |
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libBASS/MoleculeStamp.cpp, libBASS/MoleculeStamp.hpp, |
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libBASS/TorsionStamp.cpp, libBASS/TorsionStamp.hpp, |
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libBASS/interface.c, libBASS/make_nodes.c, libBASS/make_nodes.h, |
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libBASS/mpiBASS.c, libBASS/mpiBASS.h, libBASS/node_list.h, |
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libBASS/parse_interface.h, libBASS/parse_me.h, |
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libBASS/parse_tree.c, libBASS/parse_tree.h, libBASS/simError.c, |
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libBASS/simError.h, src/Makefile, src/oopse.cpp, src/oose.cpp, |
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utils/sfmakedepend, ac-tools/shtool, |
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libmdtools/AbstractClasses.hpp, libmdtools/Atom.hpp, |
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libmdtools/Bend.cpp, libmdtools/BendExtensions.cpp, |
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libmdtools/Bond.cpp, libmdtools/BondExtensions.cpp, |
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libmdtools/DipoleTestFF.cpp, libmdtools/DirectionalAtom.cpp, |
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libmdtools/DumpWriter.cpp, libmdtools/ForceFields.cpp, |
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libmdtools/ForceFields.hpp, libmdtools/GhostBend.cpp, |
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libmdtools/InitializeFromFile.cpp, libmdtools/Integrator.hpp, |
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libmdtools/LJ_FF.cpp, libmdtools/Linux_ifc_machdep.F90, |
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libmdtools/Makefile, libmdtools/Molecule.hpp, |
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libmdtools/ReadWrite.hpp, libmdtools/SRI.hpp, |
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libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp, |
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libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, |
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libmdtools/StatWriter.cpp, libmdtools/Symplectic.cpp, |
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libmdtools/Thermo.cpp, libmdtools/Thermo.hpp, |
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libmdtools/Torsion.cpp, libmdtools/TorsionExtensions.cpp, |
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libmdtools/TraPPEFF.cpp, libmdtools/TraPPE_ExFF.cpp, |
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libmdtools/Verlet.cpp, libmdtools/atype_module.F90, |
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libmdtools/calc_LJ_FF.F90, libmdtools/calc_dipole_dipole.F90, |
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libmdtools/calc_gb.F90, libmdtools/calc_reaction_field.F90, |
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libmdtools/calc_sticky_pair.F90, libmdtools/do_Forces.F90, |
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libmdtools/fForceField.h, libmdtools/fSimulation.h, |
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libmdtools/f_verlet_constrained.F90, libmdtools/forceFactory.hpp, |
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libmdtools/force_globals.F90, libmdtools/fortranWrapDefines.hpp, |
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libmdtools/fortranWrappers.cpp, libmdtools/fortranWrappers.hpp, |
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libmdtools/mpiComponentPlan.h, libmdtools/mpiForceField.c, |
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libmdtools/mpiForceField.h, libmdtools/mpiSimulation.cpp, |
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libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
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libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
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libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
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libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
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Tree |
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2003-03-21 12:42 mmeineke |
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* AUTHORS, ChangeLog, NEWS, Makefile, README, |
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ac-tools/Make.conf.in, ac-tools/aclocal.m4, ac-tools/config.guess, |
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ac-tools/config.h.in, ac-tools/config.sub, ac-tools/configure.in, |
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ac-tools/install-sh, forceFields/DipoleTest.frc, |
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forceFields/LJ_FF.frc, forceFields/TraPPE.frc, |
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forceFields/TraPPE_Ex.frc, libBASS/AtomStamp.cpp, |
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libBASS/AtomStamp.hpp, libBASS/BASS_interface.cpp, |
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libBASS/BASS_interface.h, libBASS/BASS_parse.c, |
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libBASS/BASS_parse.h, libBASS/BASSlex.l, libBASS/BASSyacc.y, |
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libBASS/BendStamp.cpp, libBASS/BendStamp.hpp, |
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libBASS/BondStamp.cpp, libBASS/BondStamp.hpp, |
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libBASS/Component.cpp, libBASS/Component.hpp, libBASS/Globals.cpp, |
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libBASS/Globals.hpp, libBASS/LinkedAssign.cpp, |
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libBASS/LinkedAssign.hpp, libBASS/LinkedCommand.cpp, |
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libBASS/LinkedCommand.hpp, libBASS/MakeStamps.cpp, |
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libBASS/MakeStamps.hpp, libBASS/Makefile, |
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libBASS/MoleculeStamp.cpp, libBASS/MoleculeStamp.hpp, |
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libBASS/TorsionStamp.cpp, libBASS/TorsionStamp.hpp, |
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libBASS/interface.c, libBASS/make_nodes.c, libBASS/make_nodes.h, |
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libBASS/mpiBASS.c, libBASS/mpiBASS.h, libBASS/node_list.h, |
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libBASS/parse_interface.h, libBASS/parse_me.h, |
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libBASS/parse_tree.c, libBASS/parse_tree.h, libBASS/simError.c, |
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libBASS/simError.h, src/Makefile, src/oopse.cpp, src/oose.cpp, |
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utils/sfmakedepend, ac-tools/shtool, |
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libmdtools/AbstractClasses.hpp, libmdtools/Atom.hpp, |
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libmdtools/Bend.cpp, libmdtools/BendExtensions.cpp, |
| 111 |
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libmdtools/Bond.cpp, libmdtools/BondExtensions.cpp, |
| 112 |
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libmdtools/DipoleTestFF.cpp, libmdtools/DirectionalAtom.cpp, |
| 113 |
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libmdtools/DumpWriter.cpp, libmdtools/ForceFields.cpp, |
| 114 |
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libmdtools/ForceFields.hpp, libmdtools/GhostBend.cpp, |
| 115 |
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libmdtools/InitializeFromFile.cpp, libmdtools/Integrator.hpp, |
| 116 |
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libmdtools/LJ_FF.cpp, libmdtools/Linux_ifc_machdep.F90, |
| 117 |
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libmdtools/Makefile, libmdtools/Molecule.hpp, |
| 118 |
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libmdtools/ReadWrite.hpp, libmdtools/SRI.hpp, |
| 119 |
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libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp, |
| 120 |
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libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, |
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libmdtools/StatWriter.cpp, libmdtools/Symplectic.cpp, |
| 122 |
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libmdtools/Thermo.cpp, libmdtools/Thermo.hpp, |
| 123 |
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libmdtools/Torsion.cpp, libmdtools/TorsionExtensions.cpp, |
| 124 |
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libmdtools/TraPPEFF.cpp, libmdtools/TraPPE_ExFF.cpp, |
| 125 |
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libmdtools/Verlet.cpp, libmdtools/atype_module.F90, |
| 126 |
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libmdtools/calc_LJ_FF.F90, libmdtools/calc_dipole_dipole.F90, |
| 127 |
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libmdtools/calc_gb.F90, libmdtools/calc_reaction_field.F90, |
| 128 |
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libmdtools/calc_sticky_pair.F90, libmdtools/do_Forces.F90, |
| 129 |
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libmdtools/fForceField.h, libmdtools/fSimulation.h, |
| 130 |
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libmdtools/f_verlet_constrained.F90, libmdtools/forceFactory.hpp, |
| 131 |
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libmdtools/force_globals.F90, libmdtools/fortranWrapDefines.hpp, |
| 132 |
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libmdtools/fortranWrappers.cpp, libmdtools/fortranWrappers.hpp, |
| 133 |
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libmdtools/mpiComponentPlan.h, libmdtools/mpiForceField.c, |
| 134 |
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libmdtools/mpiForceField.h, libmdtools/mpiSimulation.cpp, |
| 135 |
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libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 136 |
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libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 137 |
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libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
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libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
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revision |
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