Differences

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--- interactions:coulomb [2018/03/19 13:14] – [Coulomb Interactions] pbro
+++ interactions:coulomb [2018/03/19 16:29] (current) – [Compatibilities] EAM or 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), alternatively 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. It is recommended to use ms.
 =====  Parameters  =====
@@ Line 48: / Line 47: @@
   * ''coulomb'' has to be compiled with option ''apot''.
   * ''coulomb'' can be used with ''stress'', ''fweight'', ''evo'' and can also be executed in parallel using option ''mpi''.
-  * ''coulomb'' can not be used together with other force-field approaches (''pair'', ''adp'', ''eam'', ...).
+  * ''coulomb'' can optionally be combined with angular (''ang'') or EAM (''eam'') potentials. It cannot not be used together with any other force-field approaches (''pair'', ''adp'', ...). Note that pair potentials are available by default and must not be specifically added.
 =====  Potential file  =====