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