 ../
|
obj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
|
MPIobj/
|
400
(21 years ago)
by mmeineke:
*** empty log message ***
|
forceFactory.hpp
|
378
(21 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.
|
|
TorsionExtensions.cpp
|
378
(21 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.h
|
378
(21 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
(21 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.
|
|
vector_class.F90
|
378
(21 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.
|
|
Exclude.hpp
|
435
(21 years ago)
by mmeineke:
fixed a bug where the Excludes were not being created properly
|
|
randomSPRNG.hpp
|
450
(21 years ago)
by mmeineke:
just little things like deleteing unused variables and such.
|
|
StreamTokenizer.cpp
|
593
(20 years ago)
by gezelter:
Starting to worry about all the strtok() calls in our code
|
|
StreamTokenizer.hpp
|
593
(20 years ago)
by gezelter:
Starting to worry about all the strtok() calls in our code
|
|
BondExtensions.cpp
|
597
(20 years ago)
by mmeineke:
found a bug. Unit vectors were not being updated
|
|
fSimulation.h
|
626
(20 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.
|
|
atype_module.F90
|
633
(20 years ago)
by chuckv:
fixed spelling issue
|
|
force_globals.F90
|
648
(20 years ago)
by chuckv:
Finished most code for eam....
|
|
status_module.F90
|
648
(20 years ago)
by chuckv:
Finished most code for eam....
|
|
wrappers.F90
|
657
(20 years ago)
by chuckv:
More bug fixes for eam.
|
|
Molecule.hpp
|
658
(20 years ago)
by tim:
Added Z constraint.
|
|
Bend.cpp
|
670
(20 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
Bond.cpp
|
670
(20 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
SimState.hpp
|
670
(20 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
Torsion.cpp
|
670
(20 years ago)
by mmeineke:
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
|
|
ZConsWriter.hpp
|
699
(20 years ago)
by tim:
Tested MPI version of Z-Constraint Method
|
|
GhostBend.cpp
|
707
(20 years ago)
by mmeineke:
updated the Changelog.
added some bug fixes for setting the random number generator seed value.
fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
|
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SRI.hpp
|
707
(20 years ago)
by mmeineke:
updated the Changelog.
added some bug fixes for setting the random number generator seed value.
fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
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calc_gb.F90
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730
(20 years ago)
by gezelter:
More fixes for stress tensor parallel bug.
|
|
calc_reaction_field.F90
|
730
(20 years ago)
by gezelter:
More fixes for stress tensor parallel bug.
|
|
config.h.in
|
747
(20 years ago)
by gezelter:
Changes to autoconf / configure method of configuring OOPSE
|
|
simulation_module.F90
|
747
(20 years ago)
by gezelter:
Changes to autoconf / configure method of configuring OOPSE
|
|
fInfo.c
|
747
(20 years ago)
by gezelter:
Changes to autoconf / configure method of configuring OOPSE
|
|
definitions_module.F90
|
747
(20 years ago)
by gezelter:
Changes to autoconf / configure method of configuring OOPSE
|
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Make.dep
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780
(20 years ago)
by mmeineke:
Converted NPTf to work with the NPT base class.
Removed NPTfm and NPTim from cvs
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GenericData.cpp
|
787
(20 years ago)
by mmeineke:
cleaned things with gcc -Wall and g++ -Wall
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Atom.cpp
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787
(20 years ago)
by mmeineke:
cleaned things with gcc -Wall and g++ -Wall
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Thermo.hpp
|
799
(20 years ago)
by mmeineke:
removed entahlpy from the statwriter and thermo.
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calc_eam.F90
|
801
(20 years ago)
by chuckv:
Fixed bug in calc_eam.
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AllIntegrator.hpp
|
812
(20 years ago)
by mmeineke:
added a new NPT integrator, NPTxyz. It scales the x, y, and z direction sepeartely. no box skew allowed.
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SimSetup.hpp
|
823
(20 years ago)
by mmeineke:
added routines for the sysbuilder to work with simSetup
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Thermo.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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LJFF.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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Atom.hpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
BendExtensions.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
DUFF.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
SimState.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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randomSPRNG.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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Exclude.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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Molecule.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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StatWriter.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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EAM_FF.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
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DipoleTestFF.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
DirectionalAtom.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
mpiSimulation.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
TraPPE_ExFF.cpp
|
829
(20 years ago)
by gezelter:
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
|
|
ZConstraint.cpp
|
830
(20 years ago)
by gezelter:
fixes for compatibility
|
|
ZConsWriter.cpp
|
830
(20 years ago)
by gezelter:
fixes for compatibility
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mpiSimulation_module.F90
|
834
(20 years ago)
by gezelter:
Compatibility fixes
|
|
calc_LJ_FF.F90
|
834
(20 years ago)
by gezelter:
Compatibility fixes
|
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fForceField.h
|
834
(20 years ago)
by gezelter:
Compatibility fixes
|
|
fortranWrapDefines.hpp
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
|
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mpiComponentPlan.h
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
|
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fortranWrappers.cpp
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
|
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fortranWrappers.hpp
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
|
|
mpiSimulation.hpp
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
|
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ForceFields.hpp
|
836
(20 years ago)
by mmeineke:
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
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InitializeFromFile.cpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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NVT.cpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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GenericData.hpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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NPT.cpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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DumpWriter.cpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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ReadWrite.hpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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AbstractClasses.hpp
|
837
(20 years ago)
by tim:
add chi and eta to the comment line of dump file.
|
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Makefile.in
|
840
(20 years ago)
by gezelter:
C++ compatibility for templates
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calc_dipole_dipole.F90
|
843
(20 years ago)
by mmeineke:
fixed a stdlib.h include error in bass.l
fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
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Integrator.cpp
|
843
(20 years ago)
by mmeineke:
fixed a stdlib.h include error in bass.l
fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
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Integrator.hpp
|
843
(20 years ago)
by mmeineke:
fixed a stdlib.h include error in bass.l
fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
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calc_sticky_pair.F90
|
843
(20 years ago)
by mmeineke:
fixed a stdlib.h include error in bass.l
fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
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|
ForceFields.cpp
|
843
(20 years ago)
by mmeineke:
fixed a stdlib.h include error in bass.l
fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
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SimInfo.cpp
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
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neighborLists.F90
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
|
|
notifyCutoffs.F90
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
|
|
SimSetup.cpp
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
|
|
SimInfo.hpp
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
|
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do_Forces.F90
|
845
(20 years ago)
by gezelter:
bug fixes for rList problems
|
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NPTf.cpp
|
847
(20 years ago)
by mmeineke:
added template stuff to the Maikefile template
little changes to some printf format statements
|
|
NPTi.cpp
|
847
(20 years ago)
by mmeineke:
added template stuff to the Maikefile template
little changes to some printf format statements
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DumpReader.cpp
|
847
(20 years ago)
by mmeineke:
added template stuff to the Maikefile template
little changes to some printf format statements
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NPTxyz.cpp
|
847
(20 years ago)
by mmeineke:
added template stuff to the Maikefile template
little changes to some printf format statements
|
