:orphan: .. _goscip: ====================== GOSCIP -- COSCI module ====================== General Open Shell CI Program written by Olivier Visser, Ref. :cite:`Visser1992`. This module allows for small full configuration interaction calculations. It is invoked from within :ref:`DIRRCI` if the namelist GOSCIP is present in the input, or if :ref:`*RESOLVE` is specified when doing open shell HF calculations. The input is given in namelist form. Historical note: This program was originally written for the :cite:`MOLFDIR` suite and was later also included in DIRAC. &GOSCIP ======= Specify the CI space. NELEC ----- Number of electrons (excluding frozen core electrons). *Default:* :: NELEC=0 **NOTE: in the developer's version this line reads as** NELACT ------ Number of electrons (excluding frozen core electrons). *Default:* :: NELACT=0 **Programmers options** IPRNT ----- Print level. *Default:* :: IPRNT=0 .. _popana: &POPANA ======= Analyze the CI wave function. **Advanced options** THRESH ------ Print only determinants with coefficients higher than THRESH. *Default:* :: THRESH=1.0D-3 DEGEN ----- Threshold for when several states are considered to be degenerate. *Default:* :: DEGEN=1.0D-10 SELPOP ------ Select only states with relative energies lower than SELPOP. *Default:* :: SELPOP=1.0D2