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  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck, Michael Banck, Daniel Leidert
  • Date: 2009-02-23 00:12:02 UTC
  • mfrom: (1.1.2 upstream)
  • Revision ID: james.westby@ubuntu.com-20090223001202-rutldoy3dimfpesc
Tags: 3.4.0-1
* New upstream release.

[ Michael Banck ]
* debian/patches/01_DESTDIR.dpatch: Refreshed.
* debian/patches/02_FHS.dpatch: Removed, applied upstream.
* debian/patches/03_debian_docdir: Likewise.
* debian/patches/04_man.dpatch: Likewise.
* debian/patches/06_466828_fix_gcc_43_ftbfs.dpatch: Likewise.
* debian/patches/07_464867_move_executables: Fixed and refreshed.
* debian/patches/00list: Adjusted.
* debian/control: Improved description.
* debian/patches-held: Removed.
* debian/rules (install/psi3): Do not ship the ruby bindings for now.

[ Daniel Leidert ]
* debian/rules: Fix txtdir via DEB_MAKE_INSTALL_TARGET.
* debian/patches/01_DESTDIR.dpatch: Refreshed.

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Lines of Context:
src/lib/libchkpt/escf.c
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/*!
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  \file escf.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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** chkpt_rd_escf(): Reads in the scf energy.
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**
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**  takes no arguments.
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**
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**  returns: double escf  the scf energy.
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** \ingroup (CHKPT)
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*/
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double chkpt_rd_escf(void)
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{
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  double escf;
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  char *keyword;
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  keyword = chkpt_build_keyword("SCF energy");
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  psio_read_entry(PSIF_CHKPT, keyword, (char *) &escf, sizeof(double));
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  free(keyword);
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  return escf;
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}
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/*!
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** chkpt_wt_escf(): Writes out the scf energy.
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**
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**  arguments: 
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**   \param double escf  the scf energy.
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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_escf(double escf)
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{
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  char *keyword;
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  keyword = chkpt_build_keyword("SCF energy");
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  psio_write_entry(PSIF_CHKPT, keyword, (char *) &escf, sizeof(double));
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  free(keyword);
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}