 ../
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Thermo.hpp
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1764
(12 years ago)
by gezelter:
Refactored Snapshot and Stats to use the Accumulator classes. Collected
a number of methods into Thermo that belonged there.
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Thermo.cpp
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1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
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Stats.hpp
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1777
(12 years ago)
by gezelter:
Various fixes for the RNEMD output.
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Stats.cpp
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1777
(12 years ago)
by gezelter:
Various fixes for the RNEMD output.
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SnapshotManager.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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Snapshot.hpp
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1774
(12 years ago)
by gezelter:
Cleaning up RNEMD log, adding XY area to Snapshot
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Snapshot.cpp
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1774
(12 years ago)
by gezelter:
Cleaning up RNEMD log, adding XY area to Snapshot
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SimSnapshotManager.hpp
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1710
(13 years ago)
by gezelter:
Added an adapter layer between the AtomType and the rest of the code to
handle the bolt-on capabilities of new types.
Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.
Started to add infrastructure for Polarizable and fluc-Q calculations.
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SimSnapshotManager.cpp
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1764
(12 years ago)
by gezelter:
Refactored Snapshot and Stats to use the Accumulator classes. Collected
a number of methods into Thermo that belonged there.
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SimInfo.hpp
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1764
(12 years ago)
by gezelter:
Refactored Snapshot and Stats to use the Accumulator classes. Collected
a number of methods into Thermo that belonged there.
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SimInfo.cpp
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1779
(12 years ago)
by gezelter:
Prevent a memory access bug when dump files aren't configured correctly.
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SimCreator.hpp
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1725
(13 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
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SimCreator.cpp
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1769
(12 years ago)
by gezelter:
Code readability updates.
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Register.hpp
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1744
(12 years ago)
by gezelter:
Fixes for minimization
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Register.cpp
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1744
(12 years ago)
by gezelter:
Fixes for minimization
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PairList.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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PairList.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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MoleculeCreator.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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MoleculeCreator.cpp
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1775
(12 years ago)
by gezelter:
Tracking down a strange bug report. Fixing some output. Fixing some samples.
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ForceManager.hpp
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1780
(12 years ago)
by jmarr:
Adding an electric field and the architecture for external perturbations. Fixing a bug in MultipoleAtomTypesSectionParser.
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ForceManager.cpp
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1780
(12 years ago)
by jmarr:
Adding an electric field and the architecture for external perturbations. Fixing a bug in MultipoleAtomTypesSectionParser.
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ForceField.hpp
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1725
(13 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
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ForceField.cpp
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1725
(13 years ago)
by gezelter:
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
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DataStorage.hpp
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1711
(13 years ago)
by gezelter:
Some fixes for DataStorage issues. Removed outdated zangle stuff that
has been replaced by the more modern restraints.
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DataStorage.cpp
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1711
(13 years ago)
by gezelter:
Some fixes for DataStorage issues. Removed outdated zangle stuff that
has been replaced by the more modern restraints.
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BlockSnapshotManager.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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BlockSnapshotManager.cpp
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1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
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