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options:main [2018/09/23 11:06] – danieloptions:main [2019/10/08 18:08] (current) – [uq] daniel
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 ^  General options  ^^ ^  General options  ^^
 +| [[#bindist|bindist]] | Enable writing the binning distribution file |
 | [[#contrib|contrib]] | Enable [[config:bocp|Box of Contributing Particles]] | | [[#contrib|contrib]] | Enable [[config:bocp|Box of Contributing Particles]] |
-| [[#dist|dist]] | Enable writing the binning distribution file | 
 | [[#dsf|dsf]] | Enable the damped shift force approach | | [[#dsf|dsf]] | Enable the damped shift force approach |
 | [[#evo|evo]] | Enable evolutionary optimization algorithm | | [[#evo|evo]] | Enable evolutionary optimization algorithm |
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 | [[#resc|resc]] | Enable rescaling of tabulated potentials | | [[#resc|resc]] | Enable rescaling of tabulated potentials |
 | [[#stress|stress]] | Add stress in optimization target | | [[#stress|stress]] | Add stress in optimization target |
 +| [[#uq|uq]] | Generate potential ensemble for uncertainty quantification |
  
 [[#deprecated options|Deprecated options]] [[#deprecated options|Deprecated options]]
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 ===== General options ===== ===== General options =====
 +
 +==== bindist ====
 +
 +Create a [[output:bindistfile|binning distribution file]] from the provided atomic configurations. This feature is only supported for tabulated potentials.
 +
 +Use this command line switch during the './waf configure' stage to enable the dist feature:
 +<code>--enable-bindist</code>
  
 ==== contrib ==== ==== contrib ====
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 Use this command line switch during the './waf configure' stage to enable the contrib feature: Use this command line switch during the './waf configure' stage to enable the contrib feature:
 <code>--enable-contrib</code>       <code>--enable-contrib</code>      
- 
-==== dist ==== 
- 
-Create a [[output:distfile|binning distribution file]] from the provided atomic configurations. This feature is only supported for tabulated potentials. 
- 
-Use this command line switch during the './waf configure' stage to enable the dist feature: 
-<code>--enable-dist</code> 
  
 ==== dsf ==== ==== dsf ====
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 ==== mpi ==== ==== mpi ====
  
-Enable [[:mpi|MPI parallelization]] for force calculations.+Enable [[running:mpi|MPI parallelization]] for force calculations.
  
 Use this command line switch during the './waf configure' stage to enable the MPI feature: Use this command line switch during the './waf configure' stage to enable the MPI feature:
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 Use this command line switch during the './waf configure' stage to enable the stress feature: Use this command line switch during the './waf configure' stage to enable the stress feature:
 <code>--enable-stress</code>    <code>--enable-stress</code>   
 +
 +==== uq ====
 +
 +Generate potential ensemble for [[uq|uncertainty quantification]].
 +
 +Use this command line switch during the './waf configure' stage to enable the uncertainty quantification feature:
 +<code>--enable-uq</code> 
  
 ----- -----
options/main.1537693608.txt.gz · Last modified: 2018/09/23 11:06 by daniel