/*
 * @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
*/
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <cmath>

#include "psi4/libpsi4util/process.h"
#include "psi4/libciomr/libciomr.h"
#include "psi4/psifiles.h"
#include "psi4/liboptions/liboptions.h"
#include "psi4/psi4-dec.h"

#include "MOInfo.h"
#include "Params.h"
#include "Frozen.h"
#define EXTERN
#include "globals.h"

namespace psi {
namespace ccdensity {

void get_params(Options& options) {
    int errcod, tol;
    std::string junk;

    params.wfn = options.get_str("WFN");

    // junk = options.get_str("REFERENCE");
    // if(junk == "RHF") params.ref = 0;
    // else if(junk == "ROHF") params.ref = 1;
    // else if(junk == "UHF") params.ref = 2;
    // else {
    //  printf("Invalid value of input keyword REFERENCE: %s\n", junk.c_str());
    //  throw PsiException("ccdensity: error", __FILE__, __LINE__);
    //}

    psio_read_entry(PSIF_CC_INFO, "Reference Wavefunction", (char*)&(params.ref), sizeof(int));

    params.onepdm = options.get_bool("ONEPDM");
    params.onepdm_grid_dump = options.get_bool("ONEPDM_GRID_DUMP");

    params.calc_xi = options.get_bool("XI");
    if (params.calc_xi) {
        params.ground = 0;
        params.restart = 0;
    }

    params.use_zeta = options.get_bool("ZETA");
    if (params.use_zeta) {
        params.ground = 0;
        params.restart = 1;
    }

    /* For EOM-CCSD Zeta calcs to use ROHF refs for now */
    if (params.wfn == "EOM_CCSD" && params.ref == 0 && params.use_zeta) params.ref = 1;

    params.tolerance = 1e-14;
    params.tolerance = options.get_double("INTS_TOLERANCE");

    params.memory = Process::environment.get_memory();
    // fndcor(&(params.memory),infile,outfile);

    //  params.cachelev = 2;
    params.cachelev = options.get_int("CACHELEVEL");

    // params.aobasis = 0;
    params.aobasis = options.get_bool("AO_BASIS");

    params.ael = 0;
    params.ael = options.get_bool("AEL");

    params.gauge = options.get_str("GAUGE");
    if (params.gauge != "LENGTH" && params.gauge != "VELOCITY") {
        printf("Invalid choice of gauge: %s\n", params.gauge.c_str());
        throw PsiException("ccdensity: error", __FILE__, __LINE__);
    }

    /*** determine DERTYPE from input */
    params.dertype = 0;
    junk = options.get_str("DERTYPE");
    if (junk == "NONE")
        params.dertype = 0;
    else if (junk == "FIRST")
        params.dertype = 1;
    else if (junk == "RESPONSE")
        params.dertype = 3;
    else {
        printf("Invalid value of input keyword DERTYPE: %s\n", junk.c_str());
        throw PsiException("ccdensity: error", __FILE__, __LINE__);
    }

    if ((params.dertype == 1) || params.wfn == "CCSD_MVD")
        params.relax_opdm = 1; /* default for gradients, or MVD correction */
    else
        params.relax_opdm = 0; /* otherwise, default is relax_opdm off */

    if (params.transition) params.relax_opdm = 0;

    if (options["OPDM_RELAX"].has_changed()) params.relax_opdm = options.get_bool("OPDM_RELAX");
    if ((params.onepdm) && (params.relax_opdm)) { /* can't do relaxation without twopdm */
        outfile->Printf("\tTurning orbital relaxation off since only onepdm is requested.\n");
        params.relax_opdm = 0;
    }

    if (params.wfn == "EOM_CCSD" && (params.dertype == 0))
        params.connect_xi = 0;
    else
        params.connect_xi = 1;
    if (options["XI_CONNECT"].has_changed()) params.connect_xi = options.get_bool("XI_CONNECT");

    params.write_nos = options.get_bool("WRITE_NOS");
    params.debug_ = options.get_int("DEBUG");

    outfile->Printf("\n\tInput parameters:\n");
    outfile->Printf("\t-----------------\n");
    outfile->Printf("\tWave function    = %6s\n", params.wfn.c_str());
    outfile->Printf("\tReference wfn    = %5s\n", (params.ref == 0) ? "RHF" : ((params.ref == 1) ? "ROHF" : "UHF"));
    outfile->Printf("\tDertype          = %d\n", params.dertype);
    outfile->Printf("\tTolerance        = %3.1e\n", params.tolerance);
    outfile->Printf("\tCache Level      = %1d\n", params.cachelev);
    outfile->Printf("\tAO Basis         = %s\n", params.aobasis ? "Yes" : "No");
    outfile->Printf("\tOPDM Only        = %s\n", params.onepdm ? "Yes" : "No");
    outfile->Printf("\tRelax OPDM       = %s\n", params.relax_opdm ? "Yes" : "No");
    outfile->Printf("\tCompute Xi       = %s\n", (params.calc_xi) ? "Yes" : "No");
    outfile->Printf("\tUse Zeta         = %s\n", (params.use_zeta) ? "Yes" : "No");
    outfile->Printf("\tXi connected     = %s\n", (params.connect_xi) ? "Yes" : "No");
    outfile->Printf("\tCompute NO       = %s\n", (params.write_nos) ? "Yes" : "No");
}

}  // namespace ccdensity
}  // namespace psi
