 ../
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obj/
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400
(22 years ago)
by mmeineke:
*** empty log message ***
|
|
MPIobj/
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400
(22 years ago)
by mmeineke:
*** empty log message ***
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wrappers.F90
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657
(22 years ago)
by chuckv:
More bug fixes for eam.
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vector_class.F90
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378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
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status_module.F90
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648
(22 years ago)
by chuckv:
Finished most code for eam....
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simulation_module.F90
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648
(22 years ago)
by chuckv:
Finished most code for eam....
|
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randomSPRNG.hpp
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450
(22 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
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randomSPRNG.cpp
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378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
notifyCutoffs.F90
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669
(22 years ago)
by chuckv:
Bug fixes for eam...
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neighborLists.F90
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673
(22 years ago)
by chuckv:
EAM works...... Neighbor list also works.....
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mpiSimulation_module.F90
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631
(22 years ago)
by chuckv:
Added massive changes for eam....
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|
mpiSimulation.hpp
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422
(22 years ago)
by mmeineke:
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
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mpiSimulation.cpp
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447
(22 years ago)
by mmeineke:
fixed some small things with simError.h
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mpiForceField.h
|
378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
mpiForceField.c
|
378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
mpiComponentPlan.h
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405
(22 years ago)
by gezelter:
MPI stuff for passing out molecules
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fortranWrappers.hpp
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631
(22 years ago)
by chuckv:
Added massive changes for eam....
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fortranWrappers.cpp
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631
(22 years ago)
by chuckv:
Added massive changes for eam....
|
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fortranWrapDefines.hpp
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635
(22 years ago)
by gezelter:
Changes for SSD/E
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force_globals.F90
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648
(22 years ago)
by chuckv:
Finished most code for eam....
|
|
forceFactory.hpp
|
378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
|
fSimulation.h
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626
(22 years ago)
by mmeineke:
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
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fInfo.c
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632
(22 years ago)
by chuckv:
added info module
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fForceField.h
|
378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
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do_Forces.F90
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673
(22 years ago)
by chuckv:
EAM works...... Neighbor list also works.....
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calc_sticky_pair.F90
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636
(22 years ago)
by gezelter:
Fixes for SSD/E
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calc_reaction_field.F90
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626
(22 years ago)
by mmeineke:
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
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calc_gb.F90
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611
(22 years ago)
by gezelter:
Fixing pressure tensor
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calc_eam.F90
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673
(22 years ago)
by chuckv:
EAM works...... Neighbor list also works.....
|
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calc_dipole_dipole.F90
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626
(22 years ago)
by mmeineke:
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
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calc_LJ_FF.F90
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626
(22 years ago)
by mmeineke:
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
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atype_module.F90
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633
(22 years ago)
by chuckv:
fixed spelling issue
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ZConstraint.cpp
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682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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ZConsWriter.hpp
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658
(22 years ago)
by tim:
Added Z constraint.
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ZConsWriter.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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TraPPE_ExFF.cpp
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542
(22 years ago)
by mmeineke:
currently modifiying Symplectic to become the basic integrator.
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TorsionExtensions.cpp
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378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
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Torsion.cpp
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670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
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Thermo.hpp
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614
(22 years ago)
by mmeineke:
fixed some bugs, Changed entry_plug to info where appropriate
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Thermo.cpp
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614
(22 years ago)
by mmeineke:
fixed some bugs, Changed entry_plug to info where appropriate
|
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StreamTokenizer.hpp
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593
(22 years ago)
by gezelter:
Starting to worry about all the strtok() calls in our code
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StreamTokenizer.cpp
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593
(22 years ago)
by gezelter:
Starting to worry about all the strtok() calls in our code
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StatWriter.cpp
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484
(22 years ago)
by gezelter:
Added volume and enthalpy to status file
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SimState.hpp
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670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
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SimState.cpp
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670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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SimSetup.hpp
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682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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SimSetup.cpp
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682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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SimInfo.hpp
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675
(22 years ago)
by mmeineke:
Added zConstraint into the BASS language syntax.
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SimInfo.cpp
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674
(22 years ago)
by mmeineke:
changed the number of degrees of freedom to account for zConstreints
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SRI.hpp
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614
(22 years ago)
by mmeineke:
fixed some bugs, Changed entry_plug to info where appropriate
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ReadWrite.hpp
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657
(22 years ago)
by chuckv:
More bug fixes for eam.
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NVT.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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NPTim.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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NPTi.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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NPTfm.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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NPTf.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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Molecule.hpp
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658
(22 years ago)
by tim:
Added Z constraint.
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Molecule.cpp
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658
(22 years ago)
by tim:
Added Z constraint.
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Makefile
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671
(22 years ago)
by mmeineke:
fixed a deprcated instance of Atom::setZ and Atom::getZ in ZConstaint.
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Linux_ifc_machdep.F90
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378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
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LJFF.cpp
|
631
(22 years ago)
by chuckv:
Added massive changes for eam....
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Integrator.hpp
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682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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Integrator.cpp
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677
(22 years ago)
by tim:
added method of moving zconstraint molecules to specified positions
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InitializeFromFile.cpp
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670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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GhostBend.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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GenericData.hpp
|
682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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GenericData.cpp
|
682
(22 years ago)
by tim:
added harmonical potential to z-constraint method
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ForceFields.hpp
|
657
(22 years ago)
by chuckv:
More bug fixes for eam.
|
|
ForceFields.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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Exclude.hpp
|
435
(22 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
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Exclude.cpp
|
438
(22 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
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EAM_FF.cpp
|
673
(22 years ago)
by chuckv:
EAM works...... Neighbor list also works.....
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DumpWriter.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
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DumpReader.cpp
|
656
(22 years ago)
by mmeineke:
working on the props code
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DirectionalAtom.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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DipoleTestFF.cpp
|
378
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
|
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DUFF.cpp
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635
(22 years ago)
by gezelter:
Changes for SSD/E
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BondExtensions.cpp
|
597
(22 years ago)
by mmeineke:
found a bug. Unit vectors were not being updated
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Bond.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
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BendExtensions.cpp
|
438
(22 years ago)
by chuckv:
Fixes in MPI force calc and in Trappe_Ex parsing.
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Bend.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
Atom.hpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
Atom.cpp
|
670
(22 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
AllIntegrator.hpp
|
658
(22 years ago)
by tim:
Added Z constraint.
|
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AbstractClasses.hpp
|
645
(22 years ago)
by tim:
*** empty log message ***
|
