potfit wiki

open source force-matching

User Tools

Site Tools


output:ensemblefile

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
output:uq [2018/11/27 16:28] – [Format] slongbottomoutput:ensemblefile [2019/10/08 19:15] (current) – ↷ Page name changed from output:uq to output:ensemblefile slongbottom
Line 3: Line 3:
 ---- ----
  
-The ''ensemblefile.uq'' output by the uncertainty quantification ensemble method compilation contains the list of accepted MCMC potentials, see [[:uq|uncertainty quantification]]. +The ''ensemblefile.uq'' output by the uncertainty quantification ensemble method compilation contains the list of accepted MCMC potentials, see [[options:uq|uncertainty quantification]]. 
  
 =====  Format  ===== =====  Format  =====
Line 25: Line 25:
  
 **attempts**\\ **attempts**\\
- the total number of attempted MCMC moves, used to calculate the ''acc_prob''  (obviously when generating a potential ensemble users should let the Markov chain burn is to attain the correct acceptance probability before attempting to tune this using the R value, ''acceptance_rescaling'' input parameter, see [[:uq|input parameters]])+ the total number of attempted MCMC moves, used to calculate the ''acc_prob''  (obviously when generating a potential ensemble users should let the Markov chain burn is to attain the correct acceptance probability before attempting to tune this using the R value, ''acc_rescaling'' input parameter, see [[options:uq|input parameters]])
  
 **acc_prob**\\ **acc_prob**\\
output/ensemblefile.1543332537.txt.gz · Last modified: 2018/11/27 16:28 by slongbottom