 ../
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AtomTypesSectionParser.cpp
|
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.
|
|
AtomTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
BaseAtomTypesSectionParser.cpp
|
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.
|
|
BaseAtomTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
BendTypesSectionParser.cpp
|
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.
|
|
BendTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
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BondTypesSectionParser.cpp
|
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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BondTypesSectionParser.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ChargeAtomTypesSectionParser.cpp
|
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.
|
|
ChargeAtomTypesSectionParser.hpp
|
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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DirectionalAtomTypesSectionParser.cpp
|
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.
|
|
DirectionalAtomTypesSectionParser.hpp
|
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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DumpReader.cpp
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1714
(12 years ago)
by gezelter:
Added ability to read / write dump files with fluctuating charges and
electric fields.
|
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DumpReader.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
|
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DumpWriter.cpp
|
1714
(12 years ago)
by gezelter:
Added ability to read / write dump files with fluctuating charges and
electric fields.
|
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DumpWriter.hpp
|
1714
(12 years ago)
by gezelter:
Added ability to read / write dump files with fluctuating charges and
electric fields.
|
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EAMAtomTypesSectionParser.cpp
|
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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EAMAtomTypesSectionParser.hpp
|
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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FluctuatingChargeAtomTypesSectionParser.cpp
|
1732
(12 years ago)
by jmichalk:
Make fluctuating charges also charges.
|
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FluctuatingChargeAtomTypesSectionParser.hpp
|
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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ForceFieldOptions.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
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ForceFieldOptions.hpp
|
1715
(12 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
|
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GayBerneAtomTypesSectionParser.cpp
|
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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GayBerneAtomTypesSectionParser.hpp
|
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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Globals.cpp
|
1731
(12 years ago)
by gezelter:
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
|
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Globals.hpp
|
1731
(12 years ago)
by gezelter:
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
|
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InversionTypesSectionParser.cpp
|
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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InversionTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
LennardJonesAtomTypesSectionParser.cpp
|
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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LennardJonesAtomTypesSectionParser.hpp
|
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.
|
|
MultipoleAtomTypesSectionParser.cpp
|
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.
|
|
MultipoleAtomTypesSectionParser.hpp
|
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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NonBondedInteractionsSectionParser.cpp
|
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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NonBondedInteractionsSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
OptionSectionParser.cpp
|
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.
|
|
OptionSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
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ParamConstraint.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
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ParamConstraint.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
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PolarizableAtomTypesSectionParser.cpp
|
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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PolarizableAtomTypesSectionParser.hpp
|
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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RestReader.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
RestReader.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
RestWriter.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
RestWriter.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
SCAtomTypesSectionParser.cpp
|
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.
|
|
SCAtomTypesSectionParser.hpp
|
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.
|
|
SectionParser.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
SectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
SectionParserManager.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
SectionParserManager.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ShapeAtomTypesSectionParser.cpp
|
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.
|
|
ShapeAtomTypesSectionParser.hpp
|
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.
|
|
StatWriter.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
StatWriter.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
StickyAtomTypesSectionParser.cpp
|
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.
|
|
StickyAtomTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
StickyPowerAtomTypesSectionParser.cpp
|
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.
|
|
StickyPowerAtomTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
TorsionTypesSectionParser.cpp
|
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.
|
|
TorsionTypesSectionParser.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ZConsReader.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ZConsReader.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ZConsWriter.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ZConsWriter.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
basic_teebuf.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
gzstream.cpp
|
1465
(14 years ago)
by chuckv:
Creating busticated version of OpenMD
|
|
gzstream.hpp
|
1465
(14 years ago)
by chuckv:
Creating busticated version of OpenMD
|
|
ifstrstream.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ifstrstream.hpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
