 ../
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electrostatic.F90
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2325
(18 years ago)
by chrisfen:
slowdown fixed - now roughly the same speed as the old version when using dipoles
energies are now exactly the same between the old version of OOPSE and this version
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LJ.F90
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2319
(18 years ago)
by chuckv:
Bug fix: If we are not using LJ (say we are using EAM), we probably shouldn't rebuild the LJ mixing map.
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simulation.F90
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2310
(18 years ago)
by chrisfen:
Fixed bugs in reaction field, now it appears as though it really is working...
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electrostatic_interface.h
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2309
(18 years ago)
by chrisfen:
reaction field seems to work now, still need to do some testing...
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fElectrostaticSummationMethod.h
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2304
(18 years ago)
by chrisfen:
moved a header file around
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electrostatic_interface.F90
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2303
(18 years ago)
by chrisfen:
it builds now, but there are known issues - particularly with reaction field...
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Makefile
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2296
(18 years ago)
by chrisfen:
added in the undamped wolf, in the process of doing the damped wolf
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reactionField.F90
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2296
(18 years ago)
by chrisfen:
added in the undamped wolf, in the process of doing the damped wolf
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eam.F90
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2291
(18 years ago)
by chuckv:
EAM now uses eamlist to lookup eamAtypes instead of assuming a 1-1 correspondence to atypes.
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simParallel.F90
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2287
(18 years ago)
by chuckv:
Added access to mpi logical variables
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gb.F90
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2279
(18 years ago)
by chrisfen:
made some changes for implementing the wolf potential
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shapes.F90
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2277
(18 years ago)
by chrisfen:
added some probably nonfunctional get*cut routines
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sticky.F90
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2277
(18 years ago)
by chrisfen:
added some probably nonfunctional get*cut routines
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fInteractionMap.h
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2263
(19 years ago)
by tim:
replace c++ style comment in c files
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atype.F90
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2259
(19 years ago)
by gezelter:
Breaky breaky!
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interactions.F90
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2259
(19 years ago)
by gezelter:
Breaky breaky!
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atype_interface.F90
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2220
(19 years ago)
by chrisfen:
OOPSE setup for TAP water. It's not parametrized, but OOPSE will now let me run it...
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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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shapes_interface.h
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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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gb_interface.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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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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simulation_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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force_globals.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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simParallel_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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lj_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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simulation_interface.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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switcheroo.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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eam_interface.h
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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.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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neighborLists.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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lj_interface.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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simParallel_interface.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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atype_interface.h
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2177
(19 years ago)
by gezelter:
cleaned up memory leak fix
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gb_interface.F90
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1948
(19 years ago)
by gezelter:
separating modules and C/Fortran interface subroutines
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