 ../
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Globals.cpp
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2777
(18 years ago)
by chrisfen:
Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)
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DumpWriter.cpp
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2762
(18 years ago)
by chrisfen:
Last bug showed up in 2 places, fixed the other one.
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TorsionTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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ChargeAtomTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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BondTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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ZConsWriter.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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RestReader.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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Globals.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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RestReader.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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EAMAtomTypesSectionParser.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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AtomTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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MultipoleAtomTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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EAMAtomTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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RestWriter.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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ForceFieldOptions.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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BendTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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ZConsReader.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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DirectionalAtomTypesSectionParser.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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DumpReader.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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ForceFieldOptions.cpp
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2549
(18 years ago)
by tim:
filepp can not handle multiple line macro, just convert multiple line macro into single line macro.
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SCAtomTypesSectionParser.cpp
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2538
(18 years ago)
by chuckv:
Added energy scaling to section parsers.
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LennardJonesAtomTypesSectionParser.cpp
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2538
(18 years ago)
by chuckv:
Added energy scaling to section parsers.
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StickyAtomTypesSectionParser.cpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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StickyPowerAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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GayBerneAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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SCAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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BondTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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BendTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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ShapeAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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DirectionalAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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StickyPowerAtomTypesSectionParser.cpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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MultipoleAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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StickyAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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TorsionTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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ShapeAtomTypesSectionParser.cpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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GayBerneAtomTypesSectionParser.cpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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ChargeAtomTypesSectionParser.hpp
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2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
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LennardJonesAtomTypesSectionParser.hpp
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2498
(18 years ago)
by chuckv:
Added forceOptions to section parser
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DumpWriter.hpp
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2490
(18 years ago)
by chuckv:
Overloaded interface for dumpwriter.
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Makefile
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2488
(18 years ago)
by tim:
Fix parsing error in OptionSectionParser
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OptionSectionParser.cpp
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2487
(18 years ago)
by gezelter:
Adding handler for CLAY force field
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ZConsReader.cpp
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2469
(18 years ago)
by tim:
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
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ParamConstraint.cpp
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2460
(18 years ago)
by tim:
Adding ParamConstraint.cpp
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SectionParser.hpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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SectionParserManager.cpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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OptionSectionParser.hpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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ParamConstraint.hpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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DumpReader.hpp
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2420
(18 years ago)
by chrisfen:
Added a keyword and ability to output forces and torques
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StatWriter.hpp
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2380
(18 years ago)
by tim:
Customized StatWriter is working
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StatWriter.cpp
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2380
(18 years ago)
by tim:
Customized StatWriter is working
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gzstream.hpp
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2314
(18 years ago)
by tim:
adding zlib support for DumpWriter
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gzstream.cpp
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2314
(18 years ago)
by tim:
adding zlib support for DumpWriter
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SectionParser.cpp
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2211
(19 years ago)
by chrisfen:
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
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ZConsWriter.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SectionParserManager.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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basic_teebuf.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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basic_ifstrstream.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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AtomTypesSectionParser.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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RestWriter.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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