interactions
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- | ====== Interactions ====== | ||
- | ---- | ||
- | //potfit// supports various short and long range effective potentials. These potentials are defined either by tabulated functions or analytic parameters and are read from a potential file. The potentials supported can be found in the table below. | ||
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- | Since the computation of the forces is the most time-critical part of a molecular dynamics simulation, support for each type of interaction has to be enabled explicitly by a compilation option. | ||
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- | == Interaction Table == | ||
- | This table shows the current progress of implementing new potential models in //potfit//. | ||
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- | ^ Interaction | ||
- | | [[Pair Potentials|Pair Potentials]] | ||
- | | [[Angular Pair Potentials|Angular Pair Potentials]] | ||
- | | [[EAM|EAM]] | ||
- | | [[TBEAM|Two Band EAM]] | yes | yes | | ||
- | | [[MEAM|MEAM]] | ||
- | | [[ADP|ADP]] | ||
- | | [[Coulomb|Coulomb]] | ||
- | | [[Dipole|Dipole]] | ||
- | | [[StiWeb|Stillinger-Weber]] | ||
- | | [[Tersoff|Tersoff]] | ||
- | | [[Tersoffmod|modified Tersoff]] | ||