 ../
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VelocityVerletIntegrator.hpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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VelocityVerletIntegrator.cpp
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1723
(13 years ago)
by gezelter:
Bug fixes for heat flux import
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Velocitizer.hpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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Velocitizer.cpp
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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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RNEMD.hpp
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1728
(13 years ago)
by jmarr:
resolved
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RNEMD.cpp
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1728
(13 years ago)
by jmarr:
resolved
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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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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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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NPT.hpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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NPT.cpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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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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1665
(13 years ago)
by gezelter:
updated copyright notices
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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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1668
(13 years ago)
by gezelter:
Some fixes for CMake and single precision builds
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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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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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Integrator.cpp
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1715
(13 years ago)
by gezelter:
Adding more support structure for Fluctuating Charges.
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FluctuatingChargePropagator.hpp
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1718
(13 years ago)
by gezelter:
Adding fluctuating charges, still a work in progress
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FluctuatingChargePropagator.cpp
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1718
(13 years ago)
by gezelter:
Adding fluctuating charges, still a work in progress
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FluctuatingChargeNVT.hpp
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1716
(13 years ago)
by gezelter:
Adding the propagators for FlucQ
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FluctuatingChargeNVT.cpp
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1716
(13 years ago)
by gezelter:
Adding the propagators for FlucQ
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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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