source: src/Dynamics@ 90050b

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
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unittests f433ec   7 years frederik.heber We now obtain weights via levmar minimization. - this should yield …
AtomicForceManipulator.hpp 5.0 KB ​ 8ddd07   7 years frederik.heber Sorting given selected atoms by ids in ForceAnnealing.
BondVectors.cpp 11.1 KB ​ 07d4b1   7 years frederik.heber BondVectors::getRemnant...() now requires atom's gradient. - No more …
BondVectors.hpp 5.5 KB ​ 07d4b1   7 years frederik.heber BondVectors::getRemnant...() now requires atom's gradient. - No more …
BondVectors_impl.hpp 1.4 KB ​ 9861d0   7 years frederik.heber BondVectors now return subset of BondVectors for a given atom. - …
ForceAnnealing.hpp 24.2 KB ​ 90050b   7 years frederik.heber Center of weight translation removed from GatheredUpdates.
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   10 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   10 years FrederikHeber Extended VerletIntegrationAction wirth Undo/Redo. - using new …
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