 ../
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Thermo.hpp
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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Thermo.cpp
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1733
(12 years ago)
by jmichalk:
Units fix for electronic temperature, we also need to initialize dVdFq
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Stats.hpp
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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Stats.cpp
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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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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1744
(12 years ago)
by gezelter:
Fixes for minimization
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Snapshot.cpp
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1715
(12 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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SimSnapshotManager.hpp
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1710
(12 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
(12 years ago)
by gezelter:
Fixes for minimization
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SimInfo.cpp
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1750
(12 years ago)
by gezelter:
Fixing some bugs in optimization, fixing status functions so that they
dump correctly (although some things are deferred until the Stats is
accumulator-based).
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SimCreator.hpp
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1725
(12 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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1725
(12 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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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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1718
(12 years ago)
by gezelter:
Adding fluctuating charges, still a work in progress
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ForceManager.hpp
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1723
(12 years ago)
by gezelter:
Bug fixes for heat flux import
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ForceManager.cpp
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1749
(12 years ago)
by gezelter:
fixed an uninitialized option bug, fixed gcc 4.6 compilation problems
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ForceField.hpp
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1725
(12 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
(12 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
(12 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
(12 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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