 ../
|
LJ.F90
|
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++
|
|
Makefile
|
3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
|
|
MetalNonMetal.F90
|
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++
|
|
MetalNonMetal_interface.F90
|
3166
(17 years ago)
by chuckv:
Adding more missing files from metal-nonmetal interaction.
|
|
MetalNonMetal_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
atype.F90
|
3171
(17 years ago)
by gezelter:
removed a stray is_MWM
|
|
atype_interface.F90
|
3171
(17 years ago)
by gezelter:
removed a stray is_MWM
|
|
atype_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
eam.F90
|
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++
|
|
eam_interface.F90
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
eam_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
electrostatic.F90
|
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++
|
|
electrostatic_interface.F90
|
2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
|
|
electrostatic_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fElectrostaticScreeningMethod.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fElectrostaticSummationMethod.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fForceOptions.F90
|
3441
(16 years ago)
by gezelter:
Added support for scaled 1-2, 1-3 and 1-4 interactions.
|
|
fForceOptions_interface.F90
|
2522
(18 years ago)
by chuckv:
Fixed issue with symbol naming and added call to set force options in SimCreator.
|
|
fForceOptions_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fInteractionMap.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fMnMInteractions.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
fSwitchingFunctionType.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
force_globals.F90
|
3470
(15 years ago)
by gezelter:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
|
|
gb.F90
|
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++
|
|
gb_interface.F90
|
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).
|
|
gb_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
interactions.F90
|
2259
(19 years ago)
by gezelter:
Breaky breaky!
|
|
lj_interface.F90
|
2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
|
|
lj_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
mpole.F90
|
2919
(18 years ago)
by chrisfen:
Added the multipole interaction routine. It doesn't work yet, so it's not included in the build.
|
|
neighborLists.F90
|
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.
|
|
neighborLists_interface.F90
|
3080
(17 years ago)
by chuckv:
Added interface to change number of neighbors in calculating neighbor list.
|
|
neighborLists_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
qpole.F90
|
2748
(18 years ago)
by gezelter:
Adding qpole
|
|
shapes.F90
|
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++
|
|
shapes_interface.F90
|
2214
(19 years ago)
by chrisfen:
Got rid of write statements and am closer to a working shapes
|
|
shapes_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
simParallel.F90
|
3506
(15 years ago)
by gezelter:
Fixing a parallel bug in the self-self interaction.
|
|
simParallel_interface.F90
|
3346
(16 years ago)
by chuckv:
Changes to simparalell to remove MPI stuff.
|
|
simParallel_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
simulation.F90
|
3506
(15 years ago)
by gezelter:
Fixing a parallel bug in the self-self interaction.
|
|
simulation_interface.F90
|
3441
(16 years ago)
by gezelter:
Added support for scaled 1-2, 1-3 and 1-4 interactions.
|
|
simulation_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
sticky.F90
|
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++
|
|
sticky_interface.F90
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
sticky_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
suttonchen.F90
|
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++
|
|
suttonchen_interface.F90
|
2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
|
|
suttonchen_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
|
switcheroo.F90
|
2756
(18 years ago)
by gezelter:
Getting fortran side prepped for single precision...
|
|
switcheroo_interface.F90
|
2722
(18 years ago)
by gezelter:
Complete rewrite of spline code and everything that uses it.
|
|
switcheroo_interface.h
|
3450
(16 years ago)
by chuckv:
Added large quantities of code for convex hull and constant pressure langevin dynamics.
|
