 ../
|
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
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
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BendTypesSectionParser.hpp
|
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.
|
|
BondTypesSectionParser.hpp
|
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.
|
|
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.
|
|
DumpReader.cpp
|
1825
(12 years ago)
by gezelter:
Deleting unused variables
|
|
DumpReader.hpp
|
1808
(12 years ago)
by gezelter:
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
|
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DumpWriter.cpp
|
1798
(12 years ago)
by gezelter:
Merged trunk changes into the development branch
|
|
DumpWriter.hpp
|
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.
|
|
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.
|
|
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
|
|
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
|
1780
(12 years ago)
by jmarr:
Adding an electric field and the architecture for external perturbations. Fixing a bug in MultipoleAtomTypesSectionParser.
|
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Globals.hpp
|
1780
(12 years ago)
by jmarr:
Adding an electric field and the architecture for external perturbations. Fixing a bug in MultipoleAtomTypesSectionParser.
|
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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.
|
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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.
|
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MultipoleAtomTypesSectionParser.cpp
|
1820
(12 years ago)
by gezelter:
New electrostatic bug fixes.
|
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MultipoleAtomTypesSectionParser.hpp
|
1787
(12 years ago)
by gezelter:
Massive multipole rewrite
|
|
NonBondedInteractionsSectionParser.cpp
|
1825
(12 years ago)
by gezelter:
Deleting unused variables
|
|
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
|
|
ParamConstraint.cpp
|
1665
(13 years ago)
by gezelter:
updated copyright notices
|
|
ParamConstraint.hpp
|
1746
(12 years ago)
by gezelter:
added a minimizer parsing block
|
|
PolarizableAtomTypesSectionParser.cpp
|
1767
(12 years ago)
by gezelter:
Various fixes required to compile OpenMD with the MS Visual C++ compiler
|
|
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
|
1798
(12 years ago)
by gezelter:
Merged trunk changes into the development branch
|
|
RestReader.hpp
|
1794
(12 years ago)
by gezelter:
Merging some of the trunk changes back to the development branch,
cleaning up a datastorage bug
|
|
RestWriter.cpp
|
1798
(12 years ago)
by gezelter:
Merged trunk changes into the development branch
|
|
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
|
1808
(12 years ago)
by gezelter:
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
|
|
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
|
1798
(12 years ago)
by gezelter:
Merged trunk changes into the development branch
|
|
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
|
1808
(12 years ago)
by gezelter:
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
|
|
ifstrstream.hpp
|
1808
(12 years ago)
by gezelter:
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
|
