search

logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
5 stars 17 forks source link

Accepting Multiple "Output" Options in React.py #89

Open GabrielBram opened 1 year ago

GabrielBram commented 1 year ago

As the 'output' key word is a dictionary key, it only maps to one value. However, this option can be invoked several times.. ASE has a separate optional argument for 'output' for the Aims calculator object, so implementing this option similarly would likely resolve this.

ikowalec commented 1 year ago

Sorry for the delay, would simply including {"output": ["item1", "item2"]} in params not suffice? The value in dictionary key-value pair can itself be a list.

ikowalec commented 1 year ago

@GabrielBram Is this still an issue, given the response above?