/*! \file
    \ingroup CCHBAR
    \brief Enter brief description of file here 
*/
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <libipv1/ip_lib.h>
#include <libciomr/libciomr.h>
#include <libpsio/psio.h>
#include <libchkpt/chkpt.h>
#include "MOInfo.h"
#include "Params.h"
#define EXTERN
#include "globals.h"

namespace psi { namespace cchbar {

/*
** get_moinfo():  Routine to obtain basic orbital information from
** CHKPT and CC_INFO.
**
** T. Daniel Crawford, October 1996.
** Modified by TDC, March 1999.
*/

void get_moinfo(void)
{
  int i, h, errcod, nactive, nirreps;
  char *read_eom_ref;

  chkpt_init(PSIO_OPEN_OLD);
  moinfo.nirreps = chkpt_rd_nirreps();
  moinfo.nmo = chkpt_rd_nmo();
  moinfo.iopen = chkpt_rd_iopen();
  moinfo.labels = chkpt_rd_irr_labs();
  moinfo.orbspi = chkpt_rd_orbspi();
  moinfo.clsdpi = chkpt_rd_clsdpi();
  moinfo.openpi = chkpt_rd_openpi();
  moinfo.phase = chkpt_rd_phase_check();
  chkpt_close();

  nirreps = moinfo.nirreps;

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

  /* allow ROHF EOM calculation after RHF energy */
  errcod = ip_string("EOM_REFERENCE", &(read_eom_ref),0);
  if (errcod == IPE_OK) {
    if(!strcmp(read_eom_ref, "ROHF")) params.ref = 1;
    free(read_eom_ref);
  }

  /* Get frozen and active orbital lookups from CC_INFO */
  moinfo.frdocc = init_int_array(moinfo.nirreps);
  moinfo.fruocc = init_int_array(moinfo.nirreps);
  psio_read_entry(CC_INFO, "Frozen Core Orbs Per Irrep",
		  (char *) moinfo.frdocc, sizeof(int)*moinfo.nirreps);
  psio_read_entry(CC_INFO, "Frozen Virt Orbs Per Irrep",
		  (char *) moinfo.fruocc, sizeof(int)*moinfo.nirreps);

  psio_read_entry(CC_INFO, "No. of Active Orbitals", (char *) &(nactive),
		  sizeof(int)); 

  if(params.ref == 0 || params.ref == 1) { /** RHF or ROHF **/
  
    moinfo.occpi = init_int_array(moinfo.nirreps);
    moinfo.virtpi = init_int_array(moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Occ Orbs Per Irrep",
		    (char *) moinfo.occpi, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Virt Orbs Per Irrep",
		    (char *) moinfo.virtpi, sizeof(int)*moinfo.nirreps);

    moinfo.occ_sym = init_int_array(nactive);
    moinfo.vir_sym = init_int_array(nactive);
    psio_read_entry(CC_INFO, "Active Occ Orb Symmetry",
		    (char *) moinfo.occ_sym, sizeof(int)*nactive);
    psio_read_entry(CC_INFO, "Active Virt Orb Symmetry",
		    (char *) moinfo.vir_sym, sizeof(int)*nactive);

    moinfo.occ_off = init_int_array(moinfo.nirreps);
    moinfo.vir_off = init_int_array(moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Occ Orb Offsets",
		    (char *) moinfo.occ_off, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Virt Orb Offsets",
		    (char *) moinfo.vir_off, sizeof(int)*moinfo.nirreps);
  }
  else if(params.ref == 2) {  /** UHF **/

    moinfo.aoccpi = init_int_array(nirreps);
    moinfo.boccpi = init_int_array(nirreps);
    moinfo.avirtpi = init_int_array(nirreps);
    moinfo.bvirtpi = init_int_array(nirreps);

    psio_read_entry(CC_INFO, "Active Alpha Occ Orbs Per Irrep",
		    (char *) moinfo.aoccpi, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Beta Occ Orbs Per Irrep",
		    (char *) moinfo.boccpi, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Alpha Virt Orbs Per Irrep",
		    (char *) moinfo.avirtpi, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Beta Virt Orbs Per Irrep",
		    (char *) moinfo.bvirtpi, sizeof(int)*moinfo.nirreps);

    moinfo.aocc_sym = init_int_array(nactive);
    moinfo.bocc_sym = init_int_array(nactive);
    moinfo.avir_sym = init_int_array(nactive);
    moinfo.bvir_sym = init_int_array(nactive);

    psio_read_entry(CC_INFO, "Active Alpha Occ Orb Symmetry",
		    (char *) moinfo.aocc_sym, sizeof(int)*nactive);
    psio_read_entry(CC_INFO, "Active Beta Occ Orb Symmetry",
		    (char *) moinfo.bocc_sym, sizeof(int)*nactive);
    psio_read_entry(CC_INFO, "Active Alpha Virt Orb Symmetry",
		    (char *) moinfo.avir_sym, sizeof(int)*nactive);
    psio_read_entry(CC_INFO, "Active Beta Virt Orb Symmetry",
		    (char *) moinfo.bvir_sym, sizeof(int)*nactive);

    moinfo.aocc_off = init_int_array(moinfo.nirreps);
    moinfo.bocc_off = init_int_array(moinfo.nirreps);
    moinfo.avir_off = init_int_array(moinfo.nirreps);
    moinfo.bvir_off = init_int_array(moinfo.nirreps);

    psio_read_entry(CC_INFO, "Active Alpha Occ Orb Offsets",
		    (char *) moinfo.aocc_off, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Beta Occ Orb Offsets",
		    (char *) moinfo.bocc_off, sizeof(int)*moinfo.nirreps);

    psio_read_entry(CC_INFO, "Active Alpha Virt Orb Offsets",
		    (char *) moinfo.avir_off, sizeof(int)*moinfo.nirreps);
    psio_read_entry(CC_INFO, "Active Beta Virt Orb Offsets",
		    (char *) moinfo.bvir_off, sizeof(int)*moinfo.nirreps);

  }

  /* Adjust clsdpi array for frozen orbitals */
  for(i=0; i < moinfo.nirreps; i++)
    moinfo.clsdpi[i] -= moinfo.frdocc[i];

  moinfo.uoccpi = init_int_array(moinfo.nirreps);
  for(i=0; i < moinfo.nirreps; i++)
    moinfo.uoccpi[i] = moinfo.orbspi[i] - moinfo.clsdpi[i] -
      moinfo.openpi[i] - moinfo.fruocc[i] -
      moinfo.frdocc[i];
}

/* Frees memory allocated in get_moinfo() and dumps some info. */
void cleanup(void)
{
  int i;

  free(moinfo.orbspi);
  free(moinfo.clsdpi);
  free(moinfo.openpi);
  free(moinfo.uoccpi);
  free(moinfo.fruocc);
  free(moinfo.frdocc);
  for(i=0; i < moinfo.nirreps; i++)
    free(moinfo.labels[i]);
  free(moinfo.labels);
  if(params.ref == 2) {
    free(moinfo.aoccpi);
    free(moinfo.boccpi);
    free(moinfo.avirtpi);
    free(moinfo.bvirtpi);
    free(moinfo.aocc_sym);
    free(moinfo.bocc_sym);
    free(moinfo.avir_sym);
    free(moinfo.bvir_sym);
  }
  else {
    free(moinfo.occ_sym);
    free(moinfo.vir_sym);
    free(moinfo.occ_off);
    free(moinfo.vir_off);
    free(moinfo.occpi);
    free(moinfo.virtpi);
  }
}

}} // namespace psi::cchbar
