/*
    DFT++ is a density functional package developed by the research group
    of Professor Tomas Arias

    Copyright 1996-2003 Sohrab Ismail-Beigi

    This file is part of DFT++.

    DFT++ is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    DFT++ 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 General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with DFT++; if not, write to the Free Software
    Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA

    Please see the file CREDITS for a list of authors.

    For academic users, we request that publications using results obtained with
    this software reference

    "New algebraic formulation of density functional calculation," by Sohrab Ismail-Beigi
    and T.A. Arias, Computer Physics Communications 128:1-2, 1-45 (June 2000).

    and, if using the wavelet basis, further reference

    "Multiresolution analysis of electronic structure: semicardinal and wavelet bases,"
    T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999).

    and 

    "Robust ab initio calculation of condensed matter: transparent convergence through
    semicardinal multiresolution analysis,'' I.P. Daykov, T.A. Arias, and
    Torkel D. Engeness, Physical Review Letters, 90:21, 216402 (May 2003).

    For your convenience, preprints of the above articles may be obtained from
    http://arXiv.org/abs/cond-mat/9909130, 9805262, and 0204411, respectively.
*/

#include "command.h"

int wavefunction_dep[] = {0};

extern char processing_error[DFT_LINE_LEN];

int process_wavefunction(char *input_line,Everything &e)
{
  char key[DFT_MSG_LEN];
  if (sscanf(input_line,"%*s %s",key)!=1)
    {
      sprintf(processing_error,"wavefunction requires arguments.\n");
      return 1;
    }
  if (MATCH(key,"random"))
    e.elecinfo.read_Y_flag = 0;
  else if (MATCH(key,"read"))
    {
      int nitems = sscanf(input_line,"%*s %*s %s %s",
			  e.elecinfo.init_Y_filename,
			  e.elecinfo.old_Y_filename);
      if (nitems < 1)
	{
	  sprintf(processing_error,
		  "wavefunction read needs filename(s).  Input was:\n%s\n",
		  input_line);
	  return 1;
	}
      if (nitems == 1)
	strcpy(e.elecinfo.old_Y_filename,"");
      e.elecinfo.read_Y_flag = 1;
    }
  else
    {
      sprintf(processing_error,
	      "wavefunction needs random or read.  Input was:\n%s\n",
	      input_line);
      return 1;
    }
  return 0;
}

void wavefunction_set_default(Everything &e)
{
  // By default, random wave functions
  e.elecinfo.read_Y_flag = 0;
}

void wavefunction_print_status(Everything &e,Output *log)
{
  if (e.elecinfo.read_Y_flag == 0)
    log->printf("wavefunction random\n");
  else
    log->printf("wavefunction read %s %s\n",
		e.elecinfo.init_Y_filename,
		e.elecinfo.old_Y_filename);
}

command* setup_wavefunction(command *next)
{
  command* cmnd = alloc_command();

  cmnd->number = WAVEFUNCTION;
  cmnd->name = "wavefunction";
  cmnd->format = "wavefunction random | read <filename> [<filename.old>]";
  cmnd->comments = "# Wavefunction initialization:  randomize or read from filename\n# filename.old is old wavefuction for continued dynamics";
  cmnd->dependencies = wavefunction_dep;
  cmnd->has_default = 1;
  cmnd->process_command = process_wavefunction;
  cmnd->set_default = wavefunction_set_default;
  cmnd->print_status = wavefunction_print_status;
  cmnd->next_command = next;

  return cmnd;
}