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parameters [2019/02/23 09:38] – danielparameters [2019/08/11 12:11] (current) – daniel
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-^ **imdpotsteps** | integer | 1000 | +^ **imdpotsteps** | integer | 500 | 
-| number of points in each function in imd and lammps potential files, see [[IMD]] / [[output:lammps]] |||+| number of sampling points in each function in imd potential files, see [[IMD]] |||
  
 |<100% 33% 33% 33%>| |<100% 33% 33% 33%>|
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 ^ **extend** | float | 2.0 | ^ **extend** | float | 2.0 |
 | how many steps should the imd potentials be extrapolated, see [[IMD]] ||| | how many steps should the imd potentials be extrapolated, see [[IMD]] |||
 +
 +
 +|<100% 33% 33% 33%>|
 +^ **lammpspotsteps** | integer | 500 |
 +| number of sampling points in each funcation in LAMMPS potential files, see [[output:lammps|LAMMPS]] |||
  
 ====  parameter for option coulomb  ==== ====  parameter for option coulomb  ====
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 ====  parameters for OpenKIM potentials  ==== ====  parameters for OpenKIM potentials  ====
 +
 +The options for OpenKIM potentials are described in more detail on the [[models:openkim|OpenKIM]] page.
  
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 ^ **kim_model_params** | string | (none) | ^ **kim_model_params** | string | (none) |
-| Special option, see OpenKIM page for details |||+| Special parameter option, see [[models:openkim|OpenKIM]] page for details |||
  
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parameters.1550911097.txt.gz · Last modified: 2019/02/23 09:38 by daniel