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options:main [2018/09/23 18:16] danieloptions:main [2019/10/08 18:07] – [uq] daniel
Line 16: Line 16:
 | [[#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]]
Line 61: Line 62:
 ==== 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:
Line 86: Line 87:
 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 stress feature:
 +<code>--enable-uq</code> 
  
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options/main.txt · Last modified: 2019/10/08 18:08 by daniel