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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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src/lib/libiwl/wrtone.cc
 
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/*!
 
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  \file
 
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  \ingroup IWL
 
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*/
 
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#include <cstdio>
 
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#include <libpsio/psio.h>
 
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#include "iwl.h"
 
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#include "iwl.hpp"
 
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using namespace psi;
 
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void IWL::write_one(PSIO *psio, int itap, const char *label, int ntri, double *onel_ints)
 
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{
 
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    psio->open(itap, PSIO_OPEN_OLD);
 
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    psio->write_entry(itap, label, (char*)onel_ints, ntri*sizeof(double));
 
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    psio->close(itap, 1);
 
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}
 
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extern "C" {
 
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/*!
 
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** IWL_WRTONE()
 
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**
 
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** This function writes one-electron integrals.
 
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**
 
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**   itap       = tape to read ints from
 
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**   label      = the PSIO label
 
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**   ntri       = the size of the array (lower triangle)
 
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**   onel_ints  = array to hold the one-electron integrals.
 
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**
 
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** David Sherrill, March 1995
 
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** Revised by TDC, June 2001
 
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** \ingroup IWL
 
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*/
 
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void iwl_wrtone(int itap, const char *label, int ntri, double *onel_ints)
 
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{
 
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  psio_open(itap, PSIO_OPEN_OLD);
 
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  psio_write_entry(itap, label, (char *) onel_ints, ntri*sizeof(double));
 
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  psio_close(itap,1);
 
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}
 
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} /* extern "C" */