This is a heavily interactive web application, and JavaScript is required. Simple HTML interfaces are possible, but that is not what this is.
Post
FACCTs
faccts.de
did:plc:e6ses5okejrwl6b4nwg565v2
The new getter functions in version 2 of our ORCA Python Interface #OPI make it easier to access specific outputs from #ORCA calculations.
Check out the paper (https://doi.org/10.1021/acs.jctc.5c02141) and the docs (https://www.faccts.de/docs/opi/2.0/docs/) to learn more about this feature.
#ORCAqc #Python #CompChem #ChemSky
2026-05-04T12:24:09.270Z