 ../
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fSimulation.h
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1050
(19 years ago)
by chrisfen:
refined the reaction field dielectric passing
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Thermo.hpp
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998
(19 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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Thermo.cpp
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998
(19 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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Stats.hpp
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998
(19 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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Stats.cpp
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998
(19 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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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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Snapshot.hpp
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1021
(19 years ago)
by gezelter:
starting change of file formats
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Snapshot.cpp
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1021
(19 years ago)
by gezelter:
starting change of file formats
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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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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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SimInfo.hpp
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1024
(19 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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SimInfo.cpp
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1078
(19 years ago)
by gezelter:
fixing a wrapVector problem in staticProps, also making Shifted force
and electrostatic damping the default behavior
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SimCreator.hpp
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1024
(19 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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SimCreator.cpp
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1051
(19 years ago)
by gezelter:
fixing bond order parameter code
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Register.hpp
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744
(19 years ago)
by tim:
register openbabel readers/writers
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Register.cpp
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1032
(19 years ago)
by gezelter:
adding NgammaT integrator
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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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MoleculeCreator.cpp
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809
(19 years ago)
by gezelter:
made some minor changes to allow compilation with the portland group
compilers
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Makefile
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322
(20 years ago)
by tim:
more work in dynamicProps
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ForceManager.hpp
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749
(19 years ago)
by tim:
OptionSectionParser get compiled
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ForceManager.cpp
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998
(19 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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Exclude.hpp
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749
(19 years ago)
by tim:
OptionSectionParser get compiled
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Exclude.cpp
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749
(19 years ago)
by tim:
OptionSectionParser get compiled
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DataStorage.hpp
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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DataStorage.cpp
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963
(19 years ago)
by tim:
Adding single precision capabilities to c++ side
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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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BlockSnapshotManager.cpp
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1037
(19 years ago)
by gezelter:
fixed a DumpReader bug, took out extra printing statements in
residentMem and BlockSnapshotManager
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