 ../
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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
|
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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
|
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BendTypesSectionParser.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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BendTypesSectionParser.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
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
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
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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
|
1769
(12 years ago)
by gezelter:
Code readability updates.
|
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DumpReader.hpp
|
1752
(12 years ago)
by gezelter:
Added SiteData parsing and writing.
|
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DumpWriter.cpp
|
1769
(12 years ago)
by gezelter:
Code readability updates.
|
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DumpWriter.hpp
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1769
(12 years ago)
by gezelter:
Code readability updates.
|
|
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
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
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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
|
1749
(12 years ago)
by gezelter:
fixed an uninitialized option bug, fixed gcc 4.6 compilation problems
|
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Globals.hpp
|
1746
(12 years ago)
by gezelter:
added a minimizer parsing block
|
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InversionTypesSectionParser.cpp
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
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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.
|
|
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.
|
|
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.
|
|
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.
|
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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
|
|
ParamConstraint.hpp
|
1746
(12 years ago)
by gezelter:
added a minimizer parsing block
|
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PolarizableAtomTypesSectionParser.cpp
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
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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.
|
|
RestReader.cpp
|
1769
(12 years ago)
by gezelter:
Code readability updates.
|
|
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
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
|
StatWriter.hpp
|
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.
|
|
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
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
|
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
|
