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interactions:coulomb

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interactions:coulomb [2018/03/19 16:23] – [Coulomb Interactions] pbrointeractions:coulomb [2018/03/19 16:24] – [Coulomb Interactions] Coulomb+EAM/ang pbro
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 This approach is the Wolf summation method((D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggenbrecht, J. Chem. Phys. **110**, 8254 (1999) )). This approach is the Wolf summation method((D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggenbrecht, J. Chem. Phys. **110**, 8254 (1999) )).
-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. To combine Coulomb potentials with [[interactions:eam_elstat|EAM]] or [[interactions:angular_coulomb_potentials|angular-dependent]] potentials, please refer to the respective sections for those interactions.+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 can be combined with [[interactions:eam_elstat|EAM]] or [[interactions:angular_coulomb_potentials|angular-dependent]] potentials by using the force calculation routines built for this purpose.
  
 =====  Parameters  ===== =====  Parameters  =====
interactions/coulomb.txt · Last modified: 2018/03/19 16:29 by pbro