General Open Shell CI Program written by Olivier Visser
This module allows for small full configuration interaction calculations. It is invoked from within DIRRCI if the namelist GOSCIP is present in the input, or if .RESOLVE is specified when doing open shell HF calculations.
The input should be given in namelist form.
Historical note: This program was originally written for [MOLFDIR] and was later also included in DIRAC.
Specify the CI space.
Number of electrons (excluding frozen core electrons).
Default:
NELEC=0
NOTE: in the developer’s version this line reads as
Number of electrons (excluding frozen core electrons).
Default:
NELACT=0
Programmers options