 ../
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SimInfo.cpp
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853
(20 years ago)
by chrisfen:
unifying function name in electrostatics
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SimCreator.cpp
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845
(20 years ago)
by tim:
instead of printing to std::cout, throwing an exception when error is found.
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Thermo.cpp
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833
(20 years ago)
by tim:
Long range potential return from fortran is already accumulated, it should not be accumulated again;
nGroupTypesCol is not initialized; GroupMaxCutoffCol is not allocated;
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MoleculeCreator.cpp
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809
(20 years ago)
by gezelter:
made some minor changes to allow compilation with the portland group
compilers
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Register.cpp
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788
(20 years ago)
by gezelter:
Adding handler for CLAY force field
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ForceManager.cpp
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776
(20 years ago)
by gezelter:
Got rid of spurious printing out of junk
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SimInfo.hpp
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770
(20 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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SimCreator.hpp
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770
(20 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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Exclude.hpp
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749
(20 years ago)
by tim:
OptionSectionParser get compiled
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ForceManager.hpp
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749
(20 years ago)
by tim:
OptionSectionParser get compiled
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Exclude.cpp
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749
(20 years ago)
by tim:
OptionSectionParser get compiled
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Register.hpp
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744
(20 years ago)
by tim:
register openbabel readers/writers
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fSimulation.h
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734
(20 years ago)
by chuckv:
Sutton-Chen added to SimInfo
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Stats.hpp
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681
(20 years ago)
by tim:
Customized StatWriter is working
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Stats.cpp
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681
(20 years ago)
by tim:
Customized StatWriter is working
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Snapshot.hpp
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665
(20 years ago)
by tim:
rewrite Globals
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Thermo.hpp
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538
(20 years ago)
by tim:
NPAT is working
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DataStorage.cpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SimSnapshotManager.cpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Snapshot.cpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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DataStorage.hpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SimSnapshotManager.hpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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BlockSnapshotManager.hpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SnapshotManager.hpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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BlockSnapshotManager.cpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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MoleculeCreator.hpp
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507
(20 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Makefile
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322
(20 years ago)
by tim:
more work in dynamicProps
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