 ../
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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
|
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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1423
(15 years ago)
by gezelter:
more on the minimizer Frq -> Freq conversion
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Globals.hpp
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1423
(15 years ago)
by gezelter:
more on the minimizer Frq -> Freq conversion
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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
|
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
|
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
|
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
|
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
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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)
|
|
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)
|
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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)
|
