 ../
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AtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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AtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BaseAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BaseAtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BendTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BendTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BondTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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BondTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ChargeAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ChargeAtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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DirectionalAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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DirectionalAtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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DumpReader.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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DumpReader.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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DumpWriter.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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DumpWriter.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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EAMAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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EAMAtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ForceFieldOptions.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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ForceFieldOptions.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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GayBerneAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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GayBerneAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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Globals.cpp
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1402
(15 years ago)
by chuckv:
Added preliminary code for Alpha Hull calculation using qhull.
Added preliminary support to SMIPD to support Alpha Hull.
Alpha Hull does not yet add the correct things to triangle to be returned to SMPID.
Preliminary changes for shadow hamiltonian integrator.
Chages to md files so they will work in openMD.
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Globals.hpp
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1402
(15 years ago)
by chuckv:
Added preliminary code for Alpha Hull calculation using qhull.
Added preliminary support to SMIPD to support Alpha Hull.
Alpha Hull does not yet add the correct things to triangle to be returned to SMPID.
Preliminary changes for shadow hamiltonian integrator.
Chages to md files so they will work in openMD.
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InversionTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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InversionTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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LennardJonesAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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LennardJonesAtomTypesSectionParser.hpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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Makefile
|
1360
(15 years ago)
by cli2:
Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator
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MetalNonMetalInteractionsSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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MetalNonMetalInteractionsSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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MultipoleAtomTypesSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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MultipoleAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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OptionSectionParser.cpp
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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OptionSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ParamConstraint.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ParamConstraint.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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RestReader.cpp
|
1409
(15 years ago)
by gezelter:
fixed a typo
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RestReader.hpp
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1407
(15 years ago)
by cli2:
Fixed bugs in Restraint, refactored RestReader and RestWriter
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RestWriter.cpp
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1407
(15 years ago)
by cli2:
Fixed bugs in Restraint, refactored RestReader and RestWriter
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RestWriter.hpp
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1407
(15 years ago)
by cli2:
Fixed bugs in Restraint, refactored RestReader and RestWriter
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SCAtomTypesSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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SCAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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SectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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SectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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SectionParserManager.cpp
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1401
(15 years ago)
by jmarr:
Added missing cstdio include lines for gcc 4.4 compatibility
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SectionParserManager.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ShapeAtomTypesSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ShapeAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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StatWriter.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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StatWriter.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
StickyAtomTypesSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
StickyAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
StickyPowerAtomTypesSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
StickyPowerAtomTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
TorsionTypesSectionParser.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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TorsionTypesSectionParser.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
ZConsReader.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
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ZConsReader.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
ZConsWriter.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
ZConsWriter.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
basic_ifstrstream.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
basic_teebuf.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
gzstream.cpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
|
gzstream.hpp
|
1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
|
