 ../
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BlockSnapshotManager.cpp
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1966
(11 years ago)
by gezelter:
More changes for memory management.
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BlockSnapshotManager.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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DataStorage.cpp
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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DataStorage.hpp
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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ForceField.cpp
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1905
(11 years ago)
by gezelter:
fixing Luttinger Tisza stuff for Madan, fixing Inversions and wild Cards for James
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ForceField.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ForceManager.cpp
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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ForceManager.hpp
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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MoleculeCreator.cpp
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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MoleculeCreator.hpp
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1953
(11 years ago)
by gezelter:
Rewrote much of selection module, added a bond correlation function
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PairList.cpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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PairList.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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Register.cpp
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2011
(10 years ago)
by gezelter:
Added NPA integrator
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Register.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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SimCreator.cpp
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1993
(11 years ago)
by gezelter:
Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
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SimCreator.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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SimInfo.cpp
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1987
(11 years ago)
by gezelter:
Removing vestiges of deprecated MPI:: namespace C++ MPI bindings
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SimInfo.hpp
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1983
(11 years ago)
by gezelter:
Fixes for ConstraintWriter in parallel, some cppcheck cleanup
starting preparation for 2.2 release
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SimSnapshotManager.cpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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SimSnapshotManager.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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Snapshot.cpp
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1966
(11 years ago)
by gezelter:
More changes for memory management.
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Snapshot.hpp
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1966
(11 years ago)
by gezelter:
More changes for memory management.
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SnapshotManager.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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Stats.cpp
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1925
(11 years ago)
by gezelter:
More ewald fixes, reporting reciprocal potential in stats.
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Stats.hpp
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1925
(11 years ago)
by gezelter:
More ewald fixes, reporting reciprocal potential in stats.
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Thermo.cpp
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1969
(11 years ago)
by gezelter:
Fixes to deal with deprecation of MPI C++ bindings. We've reverted back to the
C calls.
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Thermo.hpp
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1879
(11 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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