 ../
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DarkSide/
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3561
(14 years ago)
by chuckv:
Removed remaining MPI from metallic potentials. Bug in MPI calculation of energies in Sutton-Chen.
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doForces.F90
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3562
(14 years ago)
by chuckv:
Fixed bug is Sutton-Chen force calculation in parallel.
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doForces_interface.h
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3559
(14 years ago)
by gezelter:
removing MPI responsibilities from the lowest level force routines. This is
in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen,
gay-berne, sticky) to C++
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doForces_interface.F90
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3559
(14 years ago)
by gezelter:
removing MPI responsibilities from the lowest level force routines. This is
in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen,
gay-berne, sticky) to C++
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ForceField.cpp
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3460
(15 years ago)
by cli2:
Fixes for Inversions for use with Amber
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mpiComponentPlan.h
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3450
(15 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
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fSwitchingFunction.h
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3450
(15 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
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fForceOptions.h
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3450
(15 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
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fCutoffPolicy.h
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3450
(15 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
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MnM_FF.cpp
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3437
(15 years ago)
by gezelter:
Many fixes
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SHAPES_FF.cpp
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3437
(15 years ago)
by gezelter:
Many fixes
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DUFF.cpp
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3437
(15 years ago)
by gezelter:
Many fixes
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SC_FF.cpp
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3437
(15 years ago)
by gezelter:
Many fixes
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EAM_FF.cpp
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3437
(15 years ago)
by gezelter:
Many fixes
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ForceField.hpp
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3437
(15 years ago)
by gezelter:
Many fixes
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Amber_FF.cpp
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3435
(16 years ago)
by gezelter:
All your base are belong to us!
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CLAYFF.cpp
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3435
(16 years ago)
by gezelter:
All your base are belong to us!
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Amber_FF.hpp
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3426
(16 years ago)
by gezelter:
Adding the Amber_FF files to OOPSE distribution
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Makefile
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3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
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MnM_FF.hpp
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3385
(16 years ago)
by gezelter:
Changing functional form
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EAM_FF.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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SHAPES_FF.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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SC_FF.hpp
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2536
(18 years ago)
by tim:
remove extra forceFieldOptions from SC_FF
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CLAYFF.hpp
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2487
(18 years ago)
by gezelter:
Adding handler for CLAY force field
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ForceFieldFactory.hpp
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2211
(19 years ago)
by chrisfen:
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
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ForceFieldCreator.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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DUFF.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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ForceFieldFactory.cpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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