 ../
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DarkSide/
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411
(20 years ago)
by gezelter:
new electrostatic module
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DUFF.cpp
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413
(20 years ago)
by tim:
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
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DUFF.hpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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EAM_FF.cpp
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409
(20 years ago)
by gezelter:
removed #include lines for outdated charge and dipole interfaces
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EAM_FF.hpp
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366
(20 years ago)
by gezelter:
corrected filename collision for EAM on operating systems which are
not case sensitive (aka Mac OS X)
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ForceField.cpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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ForceField.hpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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ForceFieldCreator.hpp
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385
(20 years ago)
by tim:
fix compilation problem for g++ 3.4
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ForceFieldFactory.cpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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ForceFieldFactory.hpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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ForceFields.cpp
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221
(20 years ago)
by chrisfen:
Improvements to restraints
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ForceFields.hpp
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221
(20 years ago)
by chrisfen:
Improvements to restraints
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Makefile
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366
(20 years ago)
by gezelter:
corrected filename collision for EAM on operating systems which are
not case sensitive (aka Mac OS X)
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Shapes_FF.cpp
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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doForces.F90
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401
(20 years ago)
by gezelter:
electrostatic unification project
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doForces_interface.F90
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264
(20 years ago)
by gezelter:
separating modules and C/Fortran interface subroutines
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doForces_interface.h
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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fSwitchingFunction.h
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253
(20 years ago)
by tim:
port to SGI platform
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mpiComponentPlan.h
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253
(20 years ago)
by tim:
port to SGI platform
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notifyCutoffs.F90
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264
(20 years ago)
by gezelter:
separating modules and C/Fortran interface subroutines
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notifyCutoffs_interface.F90
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264
(20 years ago)
by gezelter:
separating modules and C/Fortran interface subroutines
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notifyCutoffs_interface.h
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246
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
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