 ../
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DarkSide/
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3432
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
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Amber_FF.cpp
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3432
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
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Amber_FF.hpp
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3426
(17 years ago)
by gezelter:
Adding the Amber_FF files to OOPSE distribution
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CLAYFF.cpp
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2501
(19 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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CLAYFF.hpp
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2487
(19 years ago)
by gezelter:
Adding handler for CLAY force field
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DUFF.cpp
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3430
(17 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
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DUFF.hpp
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2204
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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EAM_FF.cpp
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2759
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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EAM_FF.hpp
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2759
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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ForceField.cpp
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3432
(17 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
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ForceField.hpp
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3430
(17 years ago)
by cli2:
Changes required for Inversions and Base Atom types. This will
break OOPSE badly for a few days or so...
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ForceFieldCreator.hpp
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2204
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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ForceFieldFactory.cpp
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2204
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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ForceFieldFactory.hpp
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2211
(20 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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Makefile
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3424
(17 years ago)
by gezelter:
Adding infrastructure for Amber force field.
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MnM_FF.cpp
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3407
(17 years ago)
by chuckv:
Fixed typo in LJinteraction types. LJ-metal appears to work now.
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MnM_FF.hpp
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3385
(17 years ago)
by gezelter:
Changing functional form
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SC_FF.cpp
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2566
(19 years ago)
by chuckv:
Removed MixingRule from Globals. Handled by forceField now.
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SC_FF.hpp
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2536
(19 years ago)
by tim:
remove extra forceFieldOptions from SC_FF
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SHAPES_FF.cpp
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2759
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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SHAPES_FF.hpp
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2759
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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doForces.F90
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3397
(17 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
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doForces_interface.F90
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3397
(17 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
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doForces_interface.h
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3397
(17 years ago)
by chuckv:
Checking in changes for Hefland moment calculations
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fCutoffPolicy.h
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2274
(19 years ago)
by gezelter:
added fCutoffPolicy.h
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fForceOptions.h
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2787
(19 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
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fSwitchingFunction.h
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2715
(19 years ago)
by chrisfen:
added a cubic spline to switcheroo
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mpiComponentPlan.h
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2263
(20 years ago)
by tim:
replace c++ style comment in c files
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