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interactions:main [2018/01/06 10:46] danielinteractions:main [2018/09/24 17:42] 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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 |  [[pair_potentials|Pair Potentials]]  |  yes  |  yes  | |  [[pair_potentials|Pair Potentials]]  |  yes  |  yes  |
 |  [[angular_pair_potentials|Angular Pair Potentials]]  |  no  |  yes  | |  [[angular_pair_potentials|Angular Pair Potentials]]  |  no  |  yes  |
 +|  [[angular_coulomb_potentials|Angular Coulomb Potentials]]  |  no  |  yes  |
 |  [[eam|EAM]]  |  yes  |  yes  | |  [[eam|EAM]]  |  yes  |  yes  |
 |  [[tbeam|Two Band EAM]]  |  yes  |  yes  | |  [[tbeam|Two Band EAM]]  |  yes  |  yes  |
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 |  [[tersoff|Tersoff]]  |  no  |  yes  | |  [[tersoff|Tersoff]]  |  no  |  yes  |
 |  [[tersoffmod|modified Tersoff]]  |  no  |  yes  | |  [[tersoffmod|modified Tersoff]]  |  no  |  yes  |
 +
  
interactions/main.txt · Last modified: 2018/09/24 17:48 by daniel