 ../
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Register.cpp
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3155
(17 years ago)
by chuckv:
Changes for MnM forcefield.
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Stats.hpp
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3155
(17 years ago)
by chuckv:
Changes for MnM forcefield.
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Stats.cpp
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3155
(17 years ago)
by chuckv:
Changes for MnM forcefield.
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SimCreator.cpp
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3136
(17 years ago)
by chuckv:
Removed debug message from simcreator.
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SimInfo.hpp
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3129
(17 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
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SimInfo.cpp
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3129
(17 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
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Thermo.cpp
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3126
(17 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
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fSimulation.h
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3126
(17 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
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ForceManager.hpp
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3126
(17 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
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ForceManager.cpp
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3126
(17 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
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Snapshot.hpp
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3110
(17 years ago)
by chuckv:
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
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Snapshot.cpp
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3110
(17 years ago)
by chuckv:
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
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BlockSnapshotManager.hpp
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3104
(17 years ago)
by gezelter:
Fixing an implementation problem
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BlockSnapshotManager.cpp
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3104
(17 years ago)
by gezelter:
Fixing an implementation problem
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DataStorage.cpp
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3102
(17 years ago)
by gezelter:
Adding the ability to compute Center of Mass properties on
reading in a dump file. DumpReader must be told if it needs
to do this, however.
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DataStorage.hpp
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3102
(17 years ago)
by gezelter:
Adding the ability to compute Center of Mass properties on
reading in a dump file. DumpReader must be told if it needs
to do this, however.
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SimCreator.hpp
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2982
(18 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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Thermo.hpp
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2917
(18 years ago)
by chrisfen:
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
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MoleculeCreator.cpp
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2508
(18 years ago)
by gezelter:
made some minor changes to allow compilation with the portland group
compilers
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Exclude.hpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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Exclude.cpp
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2448
(18 years ago)
by tim:
OptionSectionParser get compiled
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Register.hpp
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2443
(18 years ago)
by tim:
register openbabel readers/writers
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SimSnapshotManager.cpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SimSnapshotManager.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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SnapshotManager.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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MoleculeCreator.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Makefile
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2006
(19 years ago)
by tim:
more work in dynamicProps
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