interactions:coulomb
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interactions:coulomb [2018/03/19 16:23] – [Coulomb Interactions] pbro | interactions:coulomb [2018/03/19 16:29] (current) – [Compatibilities] EAM or ang pbro | ||
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This approach is the Wolf summation method((D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggenbrecht, | This approach is the Wolf summation method((D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggenbrecht, | ||
- | The Coulomb potential can be combined with any analytic (short-range) pair potential. Morse-Stretch (ms) and Buckingham (buck) potentials are adapted to use with Wolf-Summation for dipoles by assuring zero gradient at the cutoff. | + | The Coulomb potential can be combined with any analytic (short-range) pair potential. Morse-Stretch (ms) and Buckingham (buck) potentials are adapted to use with Wolf-Summation for dipoles by assuring zero gradient at the cutoff. Coulomb potentials |
===== Parameters | ===== Parameters | ||
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* '' | * '' | ||
* '' | * '' | ||
- | * '' | + | * '' |
===== Potential file ===== | ===== Potential file ===== |
interactions/coulomb.txt · Last modified: 2018/03/19 16:29 by pbro