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enhancementNew feature or requestNew feature or request
Description
Upon reading the collections page, I realized some attributes could be updated:
Variable | Old Type | New Type | Notes |
---|---|---|---|
pmutt.empirical.EmpiricalBase.elements |
dict |
Counter |
|
pmutt.reaction.bep.BEP.elements |
dict |
Counter |
|
pmutt.statmech.StatMech.elements |
dict |
Counter |
|
pmutt.cantera._get_range_CTI.unique_headers |
dict |
default dict (list as the default_factory ) |
|
pmutt.io.chemkin.write_surf.cat_adsorbates |
dict |
default dict (list as the default_factory ) |
May be easier to leave as dict since unique_cat_sites are identified using try/except block. |
pmutt.io.omkm.write_yaml.phase_dict |
dict |
default dict (list as the default_factory ) |
|
pmutt.empirical.references.References.offset |
dict |
pandas.DataFrame |
|
Output when using verbose=True for pmutt.statmech.StatMech.get_X |
tuple |
pandas.DataFrame |
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enhancementNew feature or requestNew feature or request