source:
src/Dynamics@
e9f307
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| unittests | f433ec | 8 years | We now obtain weights via levmar minimization. - this should yield … | ||
| AtomicForceManipulator.hpp | 5.0 KB | 8ddd07 | 8 years | Sorting given selected atoms by ids in ForceAnnealing. | |
| BondVectors.cpp | 12.9 KB | 83956e | 7 years | Rewrote annealWithBondGraph_BarzilaiBorwein() to simply distinguish … | |
| BondVectors.hpp | 6.3 KB | 83956e | 7 years | Rewrote annealWithBondGraph_BarzilaiBorwein() to simply distinguish … | |
| BondVectors_impl.hpp | 1.4 KB | 9861d0 | 8 years | BondVectors now return subset of BondVectors for a given atom. - … | |
| ForceAnnealing.hpp | 34.3 KB | 0682c2 | 7 years | Excluded hydrogens due to their small mass from spreading updates. - … | |
| LinearInterpolationBetweenSteps.hpp | 3.8 KB | e554d0 | 13 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 … | |
| OutputEnergies.hpp | 2.2 KB | 4b2207 | 4 years | FIX: SaveEnergiesAction did not use correct units. - temperature was … | |
| VerletForceIntegration.hpp | 3.8 KB | 1e45f1f | 11 years | Extended VerletIntegrationAction wirth Undo/Redo. - using new … | |
|
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