Differences

This shows you the differences between two versions of the page.

--- interactions:coulomb [2018/01/10 17:27] – ↷ Links adapted because of a move operation daniel
+++ interactions:coulomb [2018/03/19 16:24] – [Coulomb Interactions] Coulomb+EAM/ang pbro
@@ Line 33: / Line 33: @@
 This approach is the Wolf summation method((D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggenbrecht, J. Chem. Phys. **110**, 8254 (1999) )).
-The default non-electrostatic short-range potential is morse-stretch (ms), alternative a buckingham-potential
+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.
-can be used by compiling option //buck//. It is recommended to use ms.
 =====  Parameters  =====