 ../
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AtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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AtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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BaseAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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BaseAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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BendTypesSectionParser.cpp
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1459
(14 years ago)
by gezelter:
Fixed a potentially serious bug in GhostBend and GhostTorsion. We
were using A instead of A.transpose() where we need lab-frame
coordinates of the body-fixed axis.
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BendTypesSectionParser.hpp
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1451
(14 years ago)
by gezelter:
added new CosineBendType
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BondTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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BondTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ChargeAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ChargeAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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DirectionalAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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DirectionalAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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DumpReader.cpp
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1610
(13 years ago)
by gezelter:
Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.
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DumpReader.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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DumpWriter.cpp
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1610
(13 years ago)
by gezelter:
Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.
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DumpWriter.hpp
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1610
(13 years ago)
by gezelter:
Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.
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EAMAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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EAMAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ForceFieldOptions.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ForceFieldOptions.hpp
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1548
(14 years ago)
by gezelter:
Added a check to make sure value matches data type of parameter
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GayBerneAtomTypesSectionParser.cpp
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1689
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
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GayBerneAtomTypesSectionParser.hpp
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1689
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
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Globals.cpp
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1698
(13 years ago)
by skuang:
new variables for vss-rnemd
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Globals.hpp
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1698
(13 years ago)
by skuang:
new variables for vss-rnemd
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InversionTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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InversionTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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LennardJonesAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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LennardJonesAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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Makefile
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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MetalNonMetalInteractionsSectionParser.cpp
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1622
(13 years ago)
by gezelter:
Adding repulsive power potential
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MetalNonMetalInteractionsSectionParser.hpp
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1622
(13 years ago)
by gezelter:
Adding repulsive power potential
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MultipoleAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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MultipoleAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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OptionSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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OptionSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ParamConstraint.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ParamConstraint.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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RestReader.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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RestReader.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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RestWriter.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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RestWriter.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SCAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SCAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SectionParserManager.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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SectionParserManager.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ShapeAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ShapeAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StatWriter.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StatWriter.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StickyAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StickyAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StickyPowerAtomTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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StickyPowerAtomTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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TorsionTypesSectionParser.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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TorsionTypesSectionParser.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ZConsReader.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ZConsReader.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ZConsWriter.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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ZConsWriter.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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basic_ifstrstream.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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basic_teebuf.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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gzstream.cpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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gzstream.hpp
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1442
(15 years ago)
by gezelter:
Adding property set to svn entries
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