Add lines for w_ipython configuration (probably need to edit later)
@@ -69,3 +69,29 @@ west:
enabled: false
executable: $WEST_SIM_ROOT/westpa_scripts/pre_iter.sh
stderr: stdout
+ # Settings for w_ipa, an interactive analysis program that can also automate analysis.
+ analysis:
+ directory: ANALYSIS # specify the directory all analysis files should exist in.
+ kinetics: # general options for both kinetics routines.
+ # Command line arguments with values should be specified as key: value (see below)
+ # Command line arguments that are flags without values should be included as a list value
+ # in the extra key (extra: [ 'disable-correl', 'disable-bootstrap' ])
+ # These are global options for each scheme; individual schemes can have different values,
+ # set in their respective section.
+ step_iter: 1
+ evolution: cumulative
+ extra: [ 'disable-correl' ]
+ analysis_schemes: # Analysis schemes. Required: name (TEST), states, and bins
+ TEST:
+ enabled: True
+ bins:
+ - type: RectilinearBinMapper
+ boundaries:
+ - [0.0,2.8,15.9,'inf']
+ states:
+ - label: bound
+ coords:
+ - [0]
+ - label: unbound
+ coords:
+ - [15.9]
