../
|
MPIobj/
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
obj/
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
AbstractClasses.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
AllIntegrator.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Atom.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Atom.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
AtomVisitor.cpp
|
1379
(20 years ago)
by tim:
support SSD_E SSD_RF SSD1
|
AtomVisitor.hpp
|
1379
(20 years ago)
by tim:
support SSD_E SSD_RF SSD1
|
BaseVisitor.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Bend.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
BendExtensions.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Bond.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
BondExtensions.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
CGFamilyMinimizer.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
CompositeVisitor.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
CompositeVisitor.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
CutoffGroup.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
DUFF.cpp
|
1426
(20 years ago)
by gezelter:
Added utility functions to grab the mass from the force field.
|
DirectionalAtom.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
DirectionalAtom.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
DumpReader.cpp
|
1418
(20 years ago)
by gezelter:
BASS eradication project (part 2)
|
DumpWriter.cpp
|
1421
(20 years ago)
by tim:
change parameter of calling sprintf
|
EAM_FF.cpp
|
1426
(20 years ago)
by gezelter:
Added utility functions to grab the mass from the force field.
|
Euler3.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Euler3.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Exclude.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Exclude.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
ForceFields.cpp
|
1450
(20 years ago)
by chrisfen:
Fixed an algorithm error for thermodynamic integration with charges
|
ForceFields.hpp
|
1426
(20 years ago)
by gezelter:
Added utility functions to grab the mass from the force field.
|
GenericData.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
GenericData.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
GhostBend.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
InitializeFromFile.cpp
|
1418
(20 years ago)
by gezelter:
BASS eradication project (part 2)
|
Integrator.cpp
|
1367
(20 years ago)
by gezelter:
Fixed a bug where eor file wasn't being written at the end of the run
|
Integrator.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
LJFF.cpp
|
1426
(20 years ago)
by gezelter:
Added utility functions to grab the mass from the force field.
|
Make.dep
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
Makefile.in
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
MatVec3.c
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
MatVec3.h
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
MinimizerParameterSet.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Molecule.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Molecule.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
NPT.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
NPTf.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
NPTi.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
NPTxyz.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
NVT.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
OOPSEMinimizer.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
OOPSEMinimizer.hpp
|
1352
(20 years ago)
by tim:
remove an extra semicolon from OOPSEMinimizer.hpp
|
OtherVisitor.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
OtherVisitor.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
PRCG.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
ReadWrite.hpp
|
1417
(20 years ago)
by tim:
BASS eradication project (part 1)
|
Restraints.cpp
|
1533
(19 years ago)
by chrisfen:
Made the file reading more intelligent in Restraints. No longer gives uninformative seg faults.
|
Restraints.hpp
|
1451
(20 years ago)
by chrisfen:
Restraint loop is now more versatile
|
RigidBody.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
RigidBody.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
RigidBodyVisitor.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
RigidBodyVisitor.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SDMinimizer.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SRI.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SimInfo.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SimInfo.hpp
|
1417
(20 years ago)
by tim:
BASS eradication project (part 1)
|
SimSetup.cpp
|
1451
(20 years ago)
by chrisfen:
Restraint loop is now more versatile
|
SimSetup.hpp
|
1430
(20 years ago)
by tim:
add getForcefiled into simSetup
|
SimState.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SimState.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SkipList.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
SkipList.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
StatWriter.cpp
|
1417
(20 years ago)
by tim:
BASS eradication project (part 1)
|
StreamTokenizer.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
StreamTokenizer.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
StringUtils.c
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
StringUtils.cpp
|
1422
(20 years ago)
by gezelter:
Forgot to add them
|
StringUtils.h
|
1419
(20 years ago)
by gezelter:
BASS eradication project (part 3)
|
StringUtils.hpp
|
1422
(20 years ago)
by gezelter:
Forgot to add them
|
StuntDouble.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
StuntDouble.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Thermo.cpp
|
1415
(20 years ago)
by gezelter:
Fixing required keyword annoyances
|
Thermo.hpp
|
1415
(20 years ago)
by gezelter:
Fixing required keyword annoyances
|
Torsion.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
TorsionExtensions.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
TypeInfo.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Utility.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
Utility.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
WATER.cpp
|
1426
(20 years ago)
by gezelter:
Added utility functions to grab the mass from the force field.
|
ZConsReader.cpp
|
1377
(20 years ago)
by tim:
remove ^M from ZConsReader.cpp
|
ZConsReader.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
ZConsWriter.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
ZConsWriter.hpp
|
1356
(20 years ago)
by gezelter:
*** empty log message ***
|
ZConstraint.cpp
|
1353
(20 years ago)
by tim:
remove some comment lines
|
ZconsVisitor.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
ZconsVisitor.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
atype_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_LJ_FF.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_charge_charge.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_dipole_dipole.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_eam.F90
|
1380
(20 years ago)
by chuckv:
Fixed bug in calc_eam with mixtures and cutoffs associated with mixture.
|
calc_gb.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_reaction_field.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
calc_sticky_pair.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
config.h.in
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
definitions_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
do_Forces.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fForceField.h
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fSimulation.h
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fSwitchingFunction.h
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
forceFactory.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
force_globals.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fortranWrapDefines.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fortranWrappers.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
fortranWrappers.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mdProfile.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mdProfile.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mpiComponentPlan.h
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mpiForceField.c
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mpiForceField.h
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mpiSimulation.cpp
|
1411
(20 years ago)
by gezelter:
warning message for nProcessors > nMolecules
|
mpiSimulation.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
mpiSimulation_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
neighborLists.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
notifyCutoffs.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
oopseMPI_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
randomSPRNG.cpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
randomSPRNG.hpp
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
simulation_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
status_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
switch_module.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
timing.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
vector_class.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|
wrappers.F90
|
1334
(20 years ago)
by gezelter:
Initial import of OOPSE-1.0 source tree
|