source:
src/Dynamics@
5bbaca
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| unittests | 90e540 | 8 years | We now obtain weights via levmar minimization. - this should yield … | ||
| AtomicForceManipulator.hpp | 5.0 KB | 1050ac | 8 years | Sorting given selected atoms by ids in ForceAnnealing. | |
| BondVectors.cpp | 11.1 KB | ccbdf4 | 8 years | tempcommit: BondVectors::getRemnant...() now requires atom's gradient. | |
| BondVectors.hpp | 5.5 KB | ccbdf4 | 8 years | tempcommit: BondVectors::getRemnant...() now requires atom's gradient. | |
| BondVectors_impl.hpp | 1.4 KB | 461a7f | 8 years | BondVectors now return subset of BondVectors for a given atom. - … | |
| ForceAnnealing.hpp | 27.9 KB | 5bbaca | 8 years | tempcommit: Gradient is printed with magnitude. | |
| LinearInterpolationBetweenSteps.hpp | 3.8 KB | e554d0 | 12 years | Removed SortIndex as (unused) parameter in … | |
| MinimiseConstrainedPotential.cpp | 18.3 KB | 9eb71b3 | 8 years | Commented out MemDebug include and Memory::ignore. - MemDebug clashes … | |
| MinimiseConstrainedPotential.hpp | 7.0 KB | 51cdfd | 11 years | Extracted common functions from VerletForceIntegration into … | |
| OutputTemperature.hpp | 1.4 KB | 255829 | 14 years | Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la … | |
| VerletForceIntegration.hpp | 3.8 KB | 1e45f1f | 11 years | Extended VerletIntegrationAction wirth Undo/Redo. - using new … | |
|
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