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2004-04-28 17:34 tim |
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* ChangeLog, libmdtools/Molecule.cpp, libmdtools/Molecule.hpp, |
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libmdtools/OtherVisitor.cpp, libmdtools/ZconsVisitor.cpp: fix a bug |
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in Molecule.cpp which initialize massRatio before creat the array. |
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fix two bugs in ZconsVisitor |
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2004-04-28 17:06 gezelter |
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* libmdtools/: MatVec3.h, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp: |
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Adding molecular cutoffs |
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2004-04-28 16:39 gezelter |
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* libmdtools/: calc_charge_charge.F90, do_Forces.F90, |
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fSimulation.h, force_globals.F90, simulation_module.F90: work on |
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molecular cutoffs |
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2004-04-28 16:39 gezelter |
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* libBASS/: Globals.cpp, Globals.hpp: useMolecularCutoffs added to |
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Globals |
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2004-04-27 11:26 tim |
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* libmdtools/: Atom.cpp, Atom.hpp, DirectionalAtom.cpp, |