PCM

Performs polarizable continuum model (PCM) computations.

General

PCM_CC_TYPE

PCM-CCSD algorithm type.

• Type: string

• Possible Values: PTE

• Default: PTE

Expert

PCMSOLVER_PARSED_FNAME

Name of the PCMSolver input file as parsed by pcmsolver.py

• Type: string

• Default: No Default

PCM_SCF_TYPE

Use total or separate potentials and charges in the PCM-SCF step.

• Type: string

• Possible Values: TOTAL, SEPARATE

• Default: TOTAL