source: src/Dynamics@ 982e6d

ForceAnnealing_with_BondGraph_continued_betteresults
Name Size Rev Age Author Last Change
../
unittests 982e6d   8 years frederik.heber Added failing weights test case to BondVectors. - TESTFIX: Marked …
AtomicForceManipulator.hpp 5.0 KB c459c4   8 years frederik.heber Sorting given selected atoms by ids in ForceAnnealing.
BondVectors.cpp 5.3 KB 1f244c   8 years frederik.heber Extracted calculation of weights per atom into BondVectors.
BondVectors.hpp 3.2 KB 1f244c   8 years frederik.heber Extracted calculation of weights per atom into BondVectors.
BondVectors_impl.hpp 1.4 KB 24430b   8 years frederik.heber BondVectors now return subset of BondVectors for a given atom. - …
ForceAnnealing.hpp 23.4 KB 1f244c   8 years frederik.heber Extracted calculation of weights per atom into BondVectors.
LinearInterpolationBetweenSteps.hpp 3.8 KB e554d0   12 years FrederikHeber Removed SortIndex as (unused) parameter in …
MinimiseConstrainedPotential.cpp 18.3 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
MinimiseConstrainedPotential.hpp 7.0 KB 51cdfd   11 years FrederikHeber Extracted common functions from VerletForceIntegration into …
OutputTemperature.hpp 1.4 KB 255829   14 years FrederikHeber Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la …
VerletForceIntegration.hpp 3.8 KB 1e45f1f   11 years FrederikHeber Extended VerletIntegrationAction wirth Undo/Redo. - using new …
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