interactions
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interactions [2013/08/07 16:16] – daniel | interactions [2018/01/06 11:06] (current) – removed daniel | ||
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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. | ||
- | 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. | ||
- | |||
- | == Interaction Table == | ||
- | This table shows the current progress of implementing new potential models in //potfit//. | ||
- | |||
- | ^ Interaction | ||
- | | [[Pair Potentials|Pair Potentials]] | ||
- | | [[EAM|EAM]] | ||
- | | [[MEAM|MEAM]] | ||
- | | [[ADP|ADP]] | ||
- | | [[Coulomb|Coulomb]] | ||
- | | [[Dipole|Dipole]] | ||
- | | [[Tersoff|Tersoff]] | ||
- | | [[StiWeb|Stillinger-Weber]] | ||
- | |||
- | <wrap caution> | ||
- | git repository\\ | ||
- | **They are not yet available in the release version!!** | ||
- | |||
- | 1. Angular dependant potentials are available, however they are more or less untested. |
interactions.1375884966.txt.gz · Last modified: 2013/08/07 16:16 by daniel