A "verification check" is a computational algorithm that examines a particular aspect of the coding correctness of an interatomic potential (e.g. checking the accuracy of its forces by comparing them with a numerical derivative of the energy). Click for more information.
| Verification Check | Title |
|---|---|
| ContributingAtomEnergy__VC_154044441161_001 | Verification check of atom energy for contributing and non-contributing atoms v001 |
| DimerContinuityC1__VC_303890932454_005 | Verification Check of Dimer C1 Continuity v005 |
| ForcesNumerDeriv__VC_710586816390_003 | Verification check of forces via numerical differentiation (Richardson extrapolation technique) v003 |
| InversionSymmetry__VC_021653764022_002 | Verification check of invariance with respect to the inversion operation (inversion symmetry) v002 |
| MemoryLeak__VC_561022993723_004 | Verification check for memory leaks using Valgrind v004 |
| Objectivity__VC_813478999433_002 | Verification check of invariance with respect to rigid-body motion (objectivity) v002 |
| PartialForces__VC_463936749874_000 | Verification check of partial-forces via numerical differentiation (Richardson extrapolation technique) v000 |
| PeriodicitySupport__VC_895061507745_004 | Verification check of support for periodic boundary conditions v004 |
| PermutationSymmetry__VC_903502816694_002 | Verification check of invariance with respect to atom permutations (permutation symmetry) v002 |
| ProcessDeDr__VC_607859575517_000 | Verification check of negative forces by computing gradient of particle energy with respect to neighbor-particle distances v000 |
| SpeciesSupportedAsStated__VC_651200051721_002 | Verification check of species supported as stated v002 |
| ThreadSafety__VC_881176209980_005 | Verification check of thread safety v005 |
| UnitConversion__VC_128739598203_001 | Verification check of unit conversion v001 |