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
You can now use g-xTB @grimmelab.bsky.social with ORCA via the ExtOpt feature! Check out our new tutorial and learn how to use it in GOAT, NEB-TS and more.
https://www.faccts.de/docs/orca/6.1/tutorials/workflows/extopt.html#example-5-neb-ts-with-g-xtb
#ORCAqc #FACCTs #gxTB #CompChem #QuantumChem
2025-06-26T08:32:17.940Z