interactions
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interactions [2013/02/28 13:26] – created daniel | interactions [2018/01/06 10:39] – ↷ Links adapted because of a move operation 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. | 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 ===== | + | == Interaction Table == |
- | This table shows the current progress of implementing new potential models in '' | + | This table shows the current progress of implementing new potential models in //potfit//. |
- | {|- class=" | + | |
- | !width=" | + | |
- | !width=" | + | |
- | !width=" | + | |
- | |- | + | |
- | |[[Pair Potentials|Pair Potentials]] | + | |
- | |yes | + | |
- | |yes | + | |
- | |- | + | |
- | |[[EAM|EAM]] | + | |
- | |yes | + | |
- | |yes | + | |
- | |- | + | |
- | |[[MEAM|MEAM]] | + | |
- | |yes<ref name=" | + | |
- | |no | + | |
- | |- | + | |
- | |[[ADP|ADP]] | + | |
- | |yes<ref name=" | + | |
- | |yes | + | |
- | |- | + | |
- | |[[Coulomb|Coulomb]] | + | |
- | |no | + | |
- | |yes | + | |
- | |- | + | |
- | |[[Dipole|Dipole]] | + | |
- | |no | + | |
- | |yes | + | |
- | |} | + | |
- | < | + | ^ Interaction |
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||
+ | | [[interactions: | ||