 ../
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VelocityVerletIntegrator.hpp
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1731
(12 years ago)
by gezelter:
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
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VelocityVerletIntegrator.cpp
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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.
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Velocitizer.hpp
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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.
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Velocitizer.cpp
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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.
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RotationAlgorithm.hpp
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1686
(13 years ago)
by gezelter:
Fixes for compilation under LLVM compiler
Bug-fix for switching function in Gay-Berne
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NgammaT.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NgammaT.cpp
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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.
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NVT.hpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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NVT.cpp
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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.
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NVE.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NVE.cpp
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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.
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NPrT.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPrT.cpp
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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.
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NPTxyz.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPTxyz.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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NPTsz.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPTsz.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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NPTi.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPTi.cpp
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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.
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NPTf.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPTf.cpp
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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.
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NPT.hpp
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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.
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NPT.cpp
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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.
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NPAT.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPAT.cpp
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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.
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LangevinHullForceManager.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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LangevinHullForceManager.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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LangevinHullDynamics.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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LangevinHullDynamics.cpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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LangevinDynamics.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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LangevinDynamics.cpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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LDForceManager.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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LDForceManager.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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IntegratorFactory.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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IntegratorFactory.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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IntegratorCreator.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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Integrator.hpp
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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.
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Integrator.cpp
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1766
(12 years ago)
by gezelter:
Added Fluctuating Charge Langevin propagator, and made it the default
fixed some errors on the one-center slater coulomb integrals, and some
parameters in PhysicalConstants.
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DLM.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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DLM.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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