 ../
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SwitchingFunction.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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SwitchingFunction.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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Sticky.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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Sticky.cpp
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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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SlaterIntegrals.hpp
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1749
(13 years ago)
by gezelter:
fixed an uninitialized option bug, fixed gcc 4.6 compilation problems
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SHAPES.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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SHAPES.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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SC.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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SC.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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RepulsivePower.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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RepulsivePower.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NonBondedInteraction.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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Morse.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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Morse.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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MAW.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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MAW.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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LJ.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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LJ.cpp
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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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InteractionManager.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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InteractionManager.cpp
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1755
(13 years ago)
by gezelter:
general bugfixes
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GB.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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GB.cpp
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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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Electrostatic.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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Electrostatic.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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EAM.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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EAM.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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Cutoffs.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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