 ../
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MetalNonMetal.F90
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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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eam.F90
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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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force_globals.F90
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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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suttonchen.F90
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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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electrostatic.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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sticky.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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gb.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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LJ.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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shapes.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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simulation.F90
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3506
(15 years ago)
by gezelter:
Fixing a parallel bug in the self-self interaction.
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simParallel.F90
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3506
(15 years ago)
by gezelter:
Fixing a parallel bug in the self-self interaction.
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shapes_interface.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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gb_interface.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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MetalNonMetal_interface.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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fElectrostaticScreeningMethod.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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neighborLists_interface.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_interface.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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atype_interface.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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switcheroo_interface.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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simulation_interface.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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electrostatic_interface.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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fMnMInteractions.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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eam_interface.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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suttonchen_interface.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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sticky_interface.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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fSwitchingFunctionType.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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fInteractionMap.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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lj_interface.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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simParallel_interface.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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fElectrostaticSummationMethod.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.F90
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3441
(15 years ago)
by gezelter:
Added support for scaled 1-2, 1-3 and 1-4 interactions.
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simulation_interface.F90
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3441
(15 years ago)
by gezelter:
Added support for scaled 1-2, 1-3 and 1-4 interactions.
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neighborLists.F90
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3432
(16 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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Makefile
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3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
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simParallel_interface.F90
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3346
(16 years ago)
by chuckv:
Changes to simparalell to remove MPI stuff.
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atype.F90
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3171
(17 years ago)
by gezelter:
removed a stray is_MWM
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atype_interface.F90
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3171
(17 years ago)
by gezelter:
removed a stray is_MWM
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MetalNonMetal_interface.F90
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3166
(17 years ago)
by chuckv:
Adding more missing files from metal-nonmetal interaction.
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neighborLists_interface.F90
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3080
(17 years ago)
by chuckv:
Added interface to change number of neighbors in calculating neighbor list.
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mpole.F90
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2919
(18 years ago)
by chrisfen:
Added the multipole interaction routine. It doesn't work yet, so it's not included in the build.
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gb_interface.F90
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2787
(18 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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electrostatic_interface.F90
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2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
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lj_interface.F90
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2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
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switcheroo.F90
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2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
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suttonchen_interface.F90
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2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
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qpole.F90
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2748
(18 years ago)
by gezelter:
Adding qpole
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switcheroo_interface.F90
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2722
(18 years ago)
by gezelter:
Complete rewrite of spline code and everything that uses it.
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fForceOptions_interface.F90
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2522
(18 years ago)
by chuckv:
Fixed issue with symbol naming and added call to set force options in SimCreator.
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interactions.F90
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2259
(19 years ago)
by gezelter:
Breaky breaky!
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shapes_interface.F90
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2214
(19 years ago)
by chrisfen:
Got rid of write statements and am closer to a working shapes
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eam_interface.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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sticky_interface.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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