/*
 * @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 CCEOM
    \brief Enter brief description of file here
*/
#include <cstdio>
#include <cmath>
#include "MOInfo.h"
#include "Params.h"
#include "Local.h"
#define EXTERN
#include "globals.h"

namespace psi {
namespace cceom {

/* This function computes the H-bar doubles-singles block contribution
   of Wnmje to a Sigma vector stored at Sigma plus 'i' */

void WnmjeDS(int i, int C_irr) {
    dpdfile2 CME, Cme, XNJ, Xnj;
    dpdbuf4 SIJAB, Sijab, SIjAb, Z;
    dpdbuf4 WMNIE, Wmnie, WMnIe, WmNiE, WM, WP, W;
    dpdbuf4 TIJAB, TIjAb, Tijab;
    char CME_lbl[32], Cme_lbl[32], SIJAB_lbl[32], Sijab_lbl[32], SIjAb_lbl[32];
    double tval;

    if (params.eom_ref == 0) { /* RHF */
        sprintf(CME_lbl, "%s %d", "CME", i);
        sprintf(SIjAb_lbl, "%s %d", "SIjAb", i);

        /* Form XNJ intermediates */
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->buf4_init(&W, PSIF_CC_HBAR, H_IRR, 0, 11, 0, 11, 0, "2WMnIe - WnMIe (Mn,eI)");
        global_dpd_->file2_init(&CME, PSIF_EOM_CME, C_irr, 0, 1, CME_lbl);
        global_dpd_->dot23(&CME, &W, &XNJ, 0, 0, 1.0, 0.0);
        global_dpd_->file2_close(&CME);
        global_dpd_->buf4_close(&W);

        global_dpd_->buf4_init(&Z, PSIF_EOM_TMP, C_irr, 0, 5, 0, 5, 0, "WnmjeDS Z(Ij,Ab)");
        global_dpd_->buf4_init(&TIjAb, PSIF_CC_TAMPS, H_IRR, 0, 5, 0, 5, 0, "tIjAb");
        global_dpd_->contract244(&XNJ, &TIjAb, &Z, 0, 0, 0, 1.0, 0.0);
        global_dpd_->buf4_close(&TIjAb);
        global_dpd_->file2_close(&XNJ);
        global_dpd_->buf4_sort(&Z, PSIF_EOM_TMP, qpsr, 0, 5, "WnmjeDS Z(jI,bA)");

        global_dpd_->buf4_init(&SIjAb, PSIF_EOM_SIjAb, C_irr, 0, 5, 0, 5, 0, SIjAb_lbl);
        global_dpd_->buf4_axpy(&Z, &SIjAb, -1.0);
        global_dpd_->buf4_close(&Z);
        global_dpd_->buf4_init(&Z, PSIF_EOM_TMP, C_irr, 0, 5, 0, 5, 0, "WnmjeDS Z(jI,bA)");
        global_dpd_->buf4_axpy(&Z, &SIjAb, -1.0);
        global_dpd_->buf4_close(&Z);
        global_dpd_->buf4_close(&SIjAb);
    }

    else if (params.eom_ref == 1) { /* ROHF */
        sprintf(CME_lbl, "%s %d", "CME", i);
        sprintf(Cme_lbl, "%s %d", "Cme", i);
        sprintf(SIJAB_lbl, "%s %d", "SIJAB", i);
        sprintf(Sijab_lbl, "%s %d", "Sijab", i);
        sprintf(SIjAb_lbl, "%s %d", "SIjAb", i);

        /* Form XNJ intermediates */
        /* XNJ = CME * WNMJE + Cme * WNmJe */
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->file2_scm(&XNJ, 0.0);
        global_dpd_->file2_init(&CME, PSIF_EOM_CME, C_irr, 0, 1, CME_lbl);
        global_dpd_->buf4_init(&WMNIE, PSIF_CC_HBAR, H_IRR, 0, 11, 2, 11, 0, "WMNIE (M>N,EI)");
        global_dpd_->dot23(&CME, &WMNIE, &XNJ, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WMNIE);
        global_dpd_->file2_close(&CME);
        global_dpd_->file2_init(&Cme, PSIF_EOM_Cme, C_irr, 0, 1, Cme_lbl);
        global_dpd_->buf4_init(&WMnIe, PSIF_CC_HBAR, H_IRR, 0, 11, 0, 11, 0, "WMnIe (Mn,eI)");
        global_dpd_->dot23(&Cme, &WMnIe, &XNJ, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WMnIe);
        global_dpd_->file2_close(&Cme);
        global_dpd_->file2_close(&XNJ);

        /* Xnj = Cme * Wnmje + CME * WnMjE */
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 0, 0, "Xnj");
        global_dpd_->file2_scm(&Xnj, 0.0);
        global_dpd_->file2_init(&Cme, PSIF_EOM_Cme, C_irr, 0, 1, Cme_lbl);
        global_dpd_->buf4_init(&Wmnie, PSIF_CC_HBAR, H_IRR, 0, 11, 2, 11, 0, "Wmnie (m>n,ei)");
        global_dpd_->dot23(&Cme, &Wmnie, &Xnj, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&Wmnie);
        global_dpd_->file2_close(&Cme);
        global_dpd_->file2_init(&CME, PSIF_EOM_CME, C_irr, 0, 1, CME_lbl);
        global_dpd_->buf4_init(&WmNiE, PSIF_CC_HBAR, H_IRR, 0, 11, 0, 11, 0, "WmNiE (mN,Ei)");
        global_dpd_->dot23(&CME, &WmNiE, &Xnj, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WmNiE);
        global_dpd_->file2_close(&CME);
        global_dpd_->file2_close(&Xnj);

        /* SIJAB -= XNJ * TINAB + XNI * TJNAB */
        global_dpd_->buf4_init(&WM, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_M");
        global_dpd_->buf4_init(&TIJAB, PSIF_CC_TAMPS, H_IRR, 0, 7, 2, 7, 0, "tIJAB");
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->contract424(&TIJAB, &XNJ, &WM, 1, 0, 1, 1.0, 0.0);
        global_dpd_->file2_close(&XNJ);
        global_dpd_->buf4_close(&TIJAB);
        global_dpd_->buf4_sort(&WM, PSIF_EOM_TMP, qprs, 0, 7, "WnmjeDS_P");
        global_dpd_->buf4_init(&SIJAB, PSIF_EOM_SIJAB, C_irr, 0, 7, 2, 7, 0, SIJAB_lbl);
        global_dpd_->buf4_axpy(&WM, &SIJAB, -1.0);
        global_dpd_->buf4_close(&WM);
        global_dpd_->buf4_init(&WP, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_P");
        global_dpd_->buf4_axpy(&WP, &SIJAB, 1.0);
        global_dpd_->buf4_close(&WP);
        global_dpd_->buf4_close(&SIJAB);

        /* Sijab -= Xnj * Tinab + Xni * Tjnab */
        global_dpd_->buf4_init(&WM, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_M");
        global_dpd_->buf4_init(&Tijab, PSIF_CC_TAMPS, H_IRR, 0, 7, 2, 7, 0, "tijab");
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 0, 0, "Xnj");
        global_dpd_->contract424(&Tijab, &Xnj, &WM, 1, 0, 1, 1.0, 0.0);
        global_dpd_->file2_close(&Xnj);
        global_dpd_->buf4_close(&Tijab);
        global_dpd_->buf4_sort(&WM, PSIF_EOM_TMP, qprs, 0, 7, "WnmjeDS_P");
        global_dpd_->buf4_init(&Sijab, PSIF_EOM_Sijab, C_irr, 0, 7, 2, 7, 0, Sijab_lbl);
        global_dpd_->buf4_axpy(&WM, &Sijab, -1.0);
        global_dpd_->buf4_close(&WM);
        global_dpd_->buf4_init(&WP, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_P");
        global_dpd_->buf4_axpy(&WP, &Sijab, 1.0);
        global_dpd_->buf4_close(&WP);
        global_dpd_->buf4_close(&Sijab);

        /* SIjAb -= Xnj * tInAb + XNI * TjNAb */
        global_dpd_->buf4_init(&SIjAb, PSIF_EOM_SIjAb, C_irr, 0, 5, 0, 5, 0, SIjAb_lbl);
        global_dpd_->buf4_init(&TIjAb, PSIF_CC_TAMPS, H_IRR, 0, 5, 0, 5, 0, "tIjAb");
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 0, 0, "Xnj");
        global_dpd_->contract424(&TIjAb, &Xnj, &SIjAb, 1, 0, 1, -1.0, 1.0);
        global_dpd_->file2_close(&Xnj);
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->contract244(&XNJ, &TIjAb, &SIjAb, 0, 0, 0, -1.0, 1.0);
        global_dpd_->file2_close(&XNJ);
        global_dpd_->buf4_close(&TIjAb);
        global_dpd_->buf4_close(&SIjAb);
    }

    else if (params.eom_ref == 2) {
        sprintf(CME_lbl, "%s %d", "CME", i);
        sprintf(Cme_lbl, "%s %d", "Cme", i);
        sprintf(SIJAB_lbl, "%s %d", "SIJAB", i);
        sprintf(Sijab_lbl, "%s %d", "Sijab", i);
        sprintf(SIjAb_lbl, "%s %d", "SIjAb", i);

        /* Form XNJ intermediates */
        /* XNJ = CME * WNMJE + Cme * WNmJe */
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->file2_scm(&XNJ, 0.0);
        global_dpd_->file2_init(&CME, PSIF_EOM_CME, C_irr, 0, 1, CME_lbl);
        global_dpd_->buf4_init(&WMNIE, PSIF_CC_HBAR, H_IRR, 0, 21, 2, 21, 0, "WMNIE (M>N,EI)");
        global_dpd_->dot23(&CME, &WMNIE, &XNJ, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WMNIE);
        global_dpd_->file2_close(&CME);
        global_dpd_->file2_init(&Cme, PSIF_EOM_Cme, C_irr, 2, 3, Cme_lbl);
        global_dpd_->buf4_init(&WMnIe, PSIF_CC_HBAR, H_IRR, 22, 25, 22, 25, 0, "WMnIe (Mn,eI)");
        global_dpd_->dot23(&Cme, &WMnIe, &XNJ, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WMnIe);
        global_dpd_->file2_close(&Cme);
        /*
            tval = dpd_file2_dot_self(&XNJ);
            outfile->Printf("XNJ self dot %15.10lf\n",tval);
        */
        global_dpd_->file2_close(&XNJ);

        /* Xnj = Cme * Wnmje + CME * WnMjE */
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 2, 2, "Xnj");
        global_dpd_->file2_scm(&Xnj, 0.0);
        global_dpd_->file2_init(&Cme, PSIF_EOM_Cme, C_irr, 2, 3, Cme_lbl);
        global_dpd_->buf4_init(&Wmnie, PSIF_CC_HBAR, H_IRR, 10, 31, 12, 31, 0, "Wmnie (m>n,ei)");
        global_dpd_->dot23(&Cme, &Wmnie, &Xnj, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&Wmnie);
        global_dpd_->file2_close(&Cme);
        global_dpd_->file2_init(&CME, PSIF_EOM_CME, C_irr, 0, 1, CME_lbl);
        global_dpd_->buf4_init(&WmNiE, PSIF_CC_HBAR, H_IRR, 23, 26, 23, 26, 0, "WmNiE (mN,Ei)");
        global_dpd_->dot23(&CME, &WmNiE, &Xnj, 0, 0, 1.0, 1.0);
        global_dpd_->buf4_close(&WmNiE);
        global_dpd_->file2_close(&CME);

        /*
            tval = dpd_file2_dot_self(&Xnj);
            outfile->Printf("Xnj self dot %15.10lf\n",tval);
        */
        global_dpd_->file2_close(&Xnj);

        /* SIJAB -= XNJ * TINAB + XNI * TJNAB */
        global_dpd_->buf4_init(&WM, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_M");
        global_dpd_->buf4_init(&TIJAB, PSIF_CC_TAMPS, H_IRR, 0, 7, 2, 7, 0, "tIJAB");
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->contract424(&TIJAB, &XNJ, &WM, 1, 0, 1, 1.0, 0.0);
        global_dpd_->file2_close(&XNJ);
        global_dpd_->buf4_close(&TIJAB);
        global_dpd_->buf4_sort(&WM, PSIF_EOM_TMP, qprs, 0, 7, "WnmjeDS_P");
        global_dpd_->buf4_init(&SIJAB, PSIF_EOM_SIJAB, C_irr, 0, 7, 2, 7, 0, SIJAB_lbl);
        global_dpd_->buf4_axpy(&WM, &SIJAB, -1.0);
        global_dpd_->buf4_close(&WM);
        global_dpd_->buf4_init(&WP, PSIF_EOM_TMP, C_irr, 0, 7, 0, 7, 0, "WnmjeDS_P");
        global_dpd_->buf4_axpy(&WP, &SIJAB, 1.0);
        global_dpd_->buf4_close(&WP);
        global_dpd_->buf4_close(&SIJAB);

        /* Sijab -= Xnj * Tinab + Xni * Tjnab */
        global_dpd_->buf4_init(&WM, PSIF_EOM_TMP, C_irr, 10, 17, 10, 17, 0, "WnmjeDS_MB");
        global_dpd_->buf4_init(&Tijab, PSIF_CC_TAMPS, H_IRR, 10, 17, 12, 17, 0, "tijab");
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 2, 2, "Xnj");
        global_dpd_->contract424(&Tijab, &Xnj, &WM, 1, 0, 1, 1.0, 0.0);
        global_dpd_->file2_close(&Xnj);
        global_dpd_->buf4_close(&Tijab);
        global_dpd_->buf4_sort(&WM, PSIF_EOM_TMP, qprs, 10, 17, "WnmjeDS_PB");
        global_dpd_->buf4_init(&Sijab, PSIF_EOM_Sijab, C_irr, 10, 17, 12, 17, 0, Sijab_lbl);
        global_dpd_->buf4_axpy(&WM, &Sijab, -1.0);
        global_dpd_->buf4_close(&WM);
        global_dpd_->buf4_init(&WP, PSIF_EOM_TMP, C_irr, 10, 17, 10, 17, 0, "WnmjeDS_PB");
        global_dpd_->buf4_axpy(&WP, &Sijab, 1.0);
        global_dpd_->buf4_close(&WP);
        global_dpd_->buf4_close(&Sijab);

        /* SIjAb -= Xnj * tInAb + XNI * TjNAb */
        global_dpd_->buf4_init(&SIjAb, PSIF_EOM_SIjAb, C_irr, 22, 28, 22, 28, 0, SIjAb_lbl);
        global_dpd_->buf4_init(&TIjAb, PSIF_CC_TAMPS, H_IRR, 22, 28, 22, 28, 0, "tIjAb");
        global_dpd_->file2_init(&Xnj, PSIF_EOM_TMP, C_irr, 2, 2, "Xnj");
        global_dpd_->contract424(&TIjAb, &Xnj, &SIjAb, 1, 0, 1, -1.0, 1.0);
        global_dpd_->file2_close(&Xnj);
        global_dpd_->file2_init(&XNJ, PSIF_EOM_TMP, C_irr, 0, 0, "XNJ");
        global_dpd_->contract244(&XNJ, &TIjAb, &SIjAb, 0, 0, 0, -1.0, 1.0);
        global_dpd_->file2_close(&XNJ);
        global_dpd_->buf4_close(&TIjAb);
        global_dpd_->buf4_close(&SIjAb);
    }

#ifdef EOM_DEBUG
    check_sum("WnmjeDS", i, C_irr);
#endif
    return;
}

}  // namespace cceom
}  // namespace psi
