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potfiles:format0 [2018/09/24 17:34] – danielpotfiles:format0 [2021/03/29 21:08] (current) – daniel
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 === type === === type ===
  
-The ''type'' keyword has to be followed by the [[:analytic_functions|unique identifier]] for +The ''type'' keyword has to be followed by the [[models:analytic_functions|unique identifier]] for 
 the analytic function. To enable the smooth cutoff option ''_sc'' can be added at the end of the identifer (this also adds another parameter to the end potential function!). the analytic function. To enable the smooth cutoff option ''_sc'' can be added at the end of the identifer (this also adds another parameter to the end potential function!).
  
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 </code>  </code> 
  
-All list of all supported analytic potential functions is available [[:analytic_functions|here]].+All list of all supported analytic potential functions is available [[models:analytic_functions|here]].
  
 === cutoff === === cutoff ===
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 with an identifier for that parameter followed by the starting value, the minimum and maximum value for  with an identifier for that parameter followed by the starting value, the minimum and maximum value for 
 that parameter. The order of these parameters is fixed, for the implemented analytic functions the order  that parameter. The order of these parameters is fixed, for the implemented analytic functions the order 
-can be found [[:analytic_functions|here]].+can be found [[models:analytic_functions|here]]. 
 + 
 +Giving three times the same value will remove this parameter from the optimization table and use exactly that value when calculating forces/energies. This is usually called a fixed parameter.
  
 ---- ----
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 //potfit// supports global parameters, which can occur in different potentials. With this feature it is possible for any potential to "share" parameters with each other.  //potfit// supports global parameters, which can occur in different potentials. With this feature it is possible for any potential to "share" parameters with each other. 
-To use them, you need a section called ''global n'' after the header in your potential file, where ''n'' is the number of global parameters. +To use them, you need a section starting with ''global <n>'' after the header in your potential file, where ''n'' is the number of global parameters. 
 The format for the parameters is the same as for normal parameters: ''name value min max''. The format for the parameters is the same as for normal parameters: ''name value min max''.
 If you want to use a global parameter in a potential, use the name of the global parameter and add an exclamation mark. If you want to use a global parameter in a potential, use the name of the global parameter and add an exclamation mark.
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 Potentials fitted with the ''_sc'' option will have an additional parameter ''h'' at the end.  Potentials fitted with the ''_sc'' option will have an additional parameter ''h'' at the end. 
 If you omit it, it will be kept fixed at a value of 1. If you omit it, it will be kept fixed at a value of 1.
- 
- 
- 
-====  Adding New Potential Functions  ==== 
- 
-If you want to add other analytic potentials see [[:add_new_functions|this guide]]. 
  
 ---- ----
  
-=== Examples ===+===== Examples =====
  
 <code potfit format_0_example.txt> <code potfit format_0_example.txt>
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 </code> </code>
  
-A sample format 0 potential file for a binary EAM potential is available {{:format_0.pot.txt|here}}. +Many more examples are available in the [[examples:potentials|potential examples]] section.
- +
- +
  
potfiles/format0.1537803258.txt.gz · Last modified: 2018/09/24 17:34 by daniel