/*
 * @BEGIN LICENSE
 *
 * Psi4: an open-source quantum chemistry software package
 *
 * Copyright (c) 2007-2019 The Psi4 Developers.
 *
 * The copyrights for code used from other parties are included in
 * the corresponding files.
 *
 * This file is part of Psi4.
 *
 * Psi4 is free software; you can redistribute it and/or modify
 * it under the terms of the GNU Lesser General Public License as published by
 * the Free Software Foundation, version 3.
 *
 * Psi4 is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License along
 * with Psi4; if not, write to the Free Software Foundation, Inc.,
 * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
 *
 * @END LICENSE
 */

/*! \file
    \ingroup CCDENSITY
    \brief Enter brief description of file here
*/

/*! \defgroup CCDENSITY ccdensity: Computes the Coupled-Cluster Density */

namespace psi {
namespace ccdensity {

struct Frozen {
    int nfzc;       /* total no. of frozen core orbitals */
    int nfzv;       /* total no. of frozen virtual orbitals */
    int *occ_sym;   /* occupied index symmetry */
    int *aocc_sym;  /* alpha occupied index symmetry */
    int *bocc_sym;  /* beta occupied index symmetry */
    int *vir_sym;   /* virtual index symmetry */
    int *avir_sym;  /* alpha virtual index symmetry */
    int *bvir_sym;  /* beta virtual index symmetry */
    int *occpi;     /* no. of occ. orbs. (incl. open) per irrep */
    int *aoccpi;    /* no. of alpha occ. orbs. (incl. open) per irrep */
    int *boccpi;    /* no. of beta occ. orbs. (incl. open) per irrep */
    int *virtpi;    /* no. of virt. orbs. (incl. open) per irrep */
    int *avirtpi;   /* no. of alpha virt. orbs. (incl. open) per irrep */
    int *bvirtpi;   /* no. of beta virt. orbs. (incl. open) per irrep */
    int *occ_off;   /* occupied orbital offsets within each irrep */
    int *aocc_off;  /* occupied alpha orbital offsets within each irrep */
    int *bocc_off;  /* occupied beta orbital offsets within each irrep */
    int *vir_off;   /* virtual orbital offsets within each irrep */
    int *avir_off;  /* virtual alpha orbital offsets within each irrep */
    int *bvir_off;  /* virtual beta orbital offsets within each irrep */
    int *allcc_occ; /* QT->CC occupied reordering array */
    int *allcc_vir; /* QT->CC virtiual reordering array */
    int *qt_occ;    /* CC->QT occupied reordering array */
    int *qt_vir;    /* CC->QT virtiual reordering array */
    int *cc_occ;    /* QT->CC active occupied reordering array */
    int *cc_vir;    /* QT->CC active virtiual reordering array */
    int *occ;       /* boolean array for occ. orbs. */
    int *vir;       /* boolean array for virt. orbs. */
    int *socc;      /* boolean array for socc. orbs. */
};

}  // namespace ccdensity
}  // namespace psi
