PCM

Performs polarizable continuum model (PCM) computations.

General

PCM_CC_TYPE

PCM-CCSD algorithm type.

  • Type: string
  • Possible Values: PTE
  • Default: PTE

PE

PE boolean for polarizable embedding module

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