 ../
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Thermo.hpp
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1723
(13 years ago)
by gezelter:
Bug fixes for heat flux import
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Thermo.cpp
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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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Stats.hpp
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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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Stats.cpp
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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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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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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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Snapshot.cpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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SimInfo.hpp
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1744
(13 years ago)
by gezelter:
Fixes for minimization
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SimInfo.cpp
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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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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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1757
(13 years ago)
by gezelter:
Possibly fixed the rigid body global indexing issue. Reformatted
comments. Started work on the FrameData section of Snapshot.
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Register.hpp
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1744
(13 years ago)
by gezelter:
Fixes for minimization
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Register.cpp
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1744
(13 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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1718
(13 years ago)
by gezelter:
Adding fluctuating charges, still a work in progress
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ForceManager.hpp
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1723
(13 years ago)
by gezelter:
Bug fixes for heat flux import
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ForceManager.cpp
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1760
(13 years ago)
by gezelter:
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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