 ../
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FluctuatingChargePropagator.hpp
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1913
(12 years ago)
by jmichalk:
Fixed some bugs in the flucQ constraints.
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FluctuatingChargePropagator.cpp
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1921
(12 years ago)
by gezelter:
Fixed a few DumpWriter / FlucQ bugs. Still working on Ewald, updated
Quadrupolar test structures.
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FluctuatingChargeParameters.hpp
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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FluctuatingChargeParameters.cpp
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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FluctuatingChargeObjectiveFunction.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeObjectiveFunction.cpp
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1929
(11 years ago)
by gezelter:
Backing out fluc-rho and putting back the Electrostatic fluctuating
charge with coulomb integrals for atoms within a region.
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FluctuatingChargeNVT.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeNVT.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeLangevin.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeLangevin.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeConstraints.hpp
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1913
(12 years ago)
by jmichalk:
Fixed some bugs in the flucQ constraints.
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FluctuatingChargeConstraints.cpp
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1920
(12 years ago)
by jmichalk:
Had to move initialization of FluctuatingChargeConstraints into FluctuatingChargePropagator::initialize, I think I did this before, but must not have committed it and then an svn up killed it... The change was made because systems weren't undergoing charge constraints JRM
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