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by evictor
Tue Nov 24, 2020 7:42 pm
Forum: WebMO 20
Topic: Two Orca 4.2.1 Bugs
Replies: 2
Views: 494

Two Orca 4.2.1 Bugs

Hi, There are two bugs related to the latest version of Orca that I came across. 1) COSMO was removed from Orca 4.0 so the current input file generation template is outdated. Orca uses the keyword !CPCMC(solvent) as a solvation model that still uses the COSMO epsilon function or !CPCM(solvent) can j...