# CONFIGURATION

Section can be repeated.

Specify additional parameters for the combinatorial configurations. Use this section to manually specify charge and multiplicity of the fragments and their combinations. [Edit on GitHub]

## Keywords

- CHARGE

- GLB_CONF

- MULTIPLICITY

- SUB_CONF

## Keyword descriptions

CHARGE: integer = 0

  Usage: CHARGE -1

  The total charge for each fragment. [Edit on GitHub]

GLB_CONF: integer[ ]

  Usage: GLB_CONF {integer} {integer} .. {integer}

  Specifies the global configuration using 1 or 0 for each fragment. 1 specifies the respective fragment as used, 0 as unused. [Edit on GitHub]

MULTIPLICITY: integer = 0

  Aliases: MULTIP

  Usage: MULTIPLICITY 3

  Specify for each fragment the multiplicity. Two times the total spin plus one. Specify 3 for a triplet, 4 for a quartet,and so on. Default is 1 (singlet) for an even number and 2 (doublet) for an odd number of electrons. [Edit on GitHub]

SUB_CONF: integer[ ]

  Usage: SUB_CONF {integer} {integer} .. {integer}

  Specifies the subconfiguration using 1 or 0 belonging to the global configuration. 1 specifies the respective fragment as real, 0 as ghost. [Edit on GitHub]