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Viewing changes to src/lib/libchkpt/nirreps.c

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2006-09-10 14:01:33 UTC
  • Revision ID: james.westby@ubuntu.com-20060910140133-ib2j86trekykfsfv
Tags: upstream-3.2.3
Import upstream version 3.2.3

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src/lib/libchkpt/nirreps.c
 
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/*!
 
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  \file nirreps.c
 
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  \ingroup (CHKPT)
 
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*/
 
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#include <stdlib.h>
 
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#include "chkpt.h"
 
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#include <psifiles.h>
 
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#include <libpsio/psio.h>
 
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/*!
 
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** int chkpt_rd_nirreps()  
 
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** Reads in the total number of irreducible representations
 
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** in the point group in which the molecule is being considered.
 
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**
 
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** returns: nirreps = total number of irreducible representations.
 
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** \ingroup (CHKPT)
 
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*/
 
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int chkpt_rd_nirreps(void)
 
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{
 
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  int nirreps;
 
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  char *key;
 
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  key = chkpt_build_keyword("Num. irreps");
 
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  psio_read_entry(PSIF_CHKPT, key, (char *) &nirreps, sizeof(int));
 
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  free(key);
 
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  return nirreps;
 
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}
 
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/*!
 
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** void chkpt_wt_nirreps(int)  
 
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** Writes out the total number of irreducible representations
 
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** in the point group in which the molecule is being considered.
 
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**
 
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** \param nirreps = total number of irreducible representations.
 
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**
 
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** returns: none
 
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** \ingroup (CHKPT)
 
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*/
 
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void chkpt_wt_nirreps(int nirreps)
 
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{
 
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  char *key;
 
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  key = chkpt_build_keyword("Num. irreps");
 
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  psio_write_entry(PSIF_CHKPT, key, (char *) &nirreps, sizeof(int));
 
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  free(key);
 
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}