Differences

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

--- interactions:main [2018/01/06 10:50] – daniel
+++ interactions:main [2018/09/24 17:48] (current) – daniel
@@ Line 1: / Line 1: @@
 ====== 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.
+//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 supported potentials 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 consumes the most time of the //potfit// optimization run, support for each type of interaction has to be enabled explicitly before compiling a binary.
 ==  Interaction Table  ==
@@ Line 9: / Line 9: @@
 ^  Interaction  ^  tabulated potentials  ^  analytic potentials  ^
-|  [[pair_potentials|Pair Potentials]]  |  yes  |  yes  |
+|  [[pair_potentials|Pair Potentials]]  |  @lightgreen:yes  |  @lightgreen:yes  |
-|  [[angular_pair_potentials|Angular Pair Potentials]]  |  no  |  yes  |
+|  [[angular_pair_potentials|Angular Pair Potentials]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[eam|EAM]]  |  yes  |  yes  |
+|  [[angular_coulomb_potentials|Angular Coulomb Potentials]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[tbeam|Two Band EAM]]  |  yes  |  yes  |
+|  [[eam|EAM]]  |  @lightgreen:yes  |  @lightgreen:yes  |
-|  [[meam|MEAM]]  |  yes  |  yes  |
+|  [[tbeam|Two Band EAM]]  |  @lightgreen:yes  |  @lightgreen:yes  |
-|  [[adp|ADP]]  |  yes  |  yes  |
+|  [[meam|MEAM]]  |  @lightgreen:yes  |  @lightgreen:yes  |
-|  [[coulomb|Coulomb]]  |  no  |  yes  |
+|  [[adp|ADP]]  |  @lightgreen:yes  |  @lightgreen:yes  |
-|  [[dipole|Dipole]]  |  no  |  yes  |
+|  [[coulomb|Coulomb]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[eam_elstat|EAM + electrostatics]]  |  no  |  yes  |
+|  [[dipole|Dipole]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[stiweb|Stillinger-Weber]]  |  no  |  yes  |
+|  [[eam_elstat|EAM + electrostatics]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[tersoff|Tersoff]]  |  no  |  yes  |
+|  [[stiweb|Stillinger-Weber]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[tersoffmod|modified Tersoff]]  |  no  |  yes  |
+|  [[tersoff|Tersoff]]  |  @tomato:no  |  @lightgreen:yes  |
-|  [[openkim|openKIM]]((potfit has a special interaction mode for openKIM which is based on analytic potentials))  |  no  |  yes  |
+|  [[tersoffmod|modified Tersoff]]  |  @tomato:no  |  @lightgreen:yes  |