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interactions:main [2018/01/06 10:32] – created danielinteractions:main [2018/09/24 17:48] (current) daniel
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 ====== Interactions ====== ====== 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 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 binary.
  
 ==  Interaction Table  == ==  Interaction Table  ==
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 ^  Interaction  ^  tabulated potentials  ^  analytic potentials  ^ ^  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  | 
-|  [[StiWeb|Stillinger-Weber]]  |  no  |  yes  | +|  [[dipole|Dipole]]  |  @tomato:no  |  @lightgreen:yes  | 
-|  [[Tersoff|Tersoff]]  |  no  |  yes  | +|  [[eam_elstat|EAM + electrostatics]]  |  @tomato:no  |  @lightgreen:yes 
-|  [[Tersoffmod|modified Tersoff]]  |  no  |  yes  |+|  [[stiweb|Stillinger-Weber]]  |  @tomato:no  |  @lightgreen:yes  | 
 +|  [[tersoff|Tersoff]]  |  @tomato:no  |  @lightgreen:yes  | 
 +|  [[tersoffmod|modified Tersoff]]  |  @tomato:no  |  @lightgreen:yes  | 
  
interactions/main.1515231140.txt.gz · Last modified: 2018/01/06 10:32 by daniel