Psi4 Project Logo

CFOUR_UNITSΒΆ

Specifies the units used for molecular geometry input. ANGSTROM (= 0) uses Angstrom units, BOHR (= 1) specifies atomic units. PSI4 Interface: Keyword set from active molecule, always ANGSTROM.

  • Type: string
  • Possible Values: ANGSTROM, BOHR
  • Default: ANGSTROM