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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/wrttwo.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 <cmath>
 
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#include <libciomr/libciomr.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_two(PSIO *psio, int itap, int nbfso, double *ints, int *ioff, 
 
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    double toler, int printflg, FILE *outfile)
 
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{
 
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    IWL Buf(psio, itap, toler, 0, 0);
 
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    Buf.write_all(nbfso, ints, ioff, printflg, outfile);
 
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    Buf.flush(1);
 
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}
 
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extern "C" {
 
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/*!
 
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** iwl_wrttwo()
 
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**
 
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** Write two electron ints to output in lexical order
 
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** The "iwl" stands for "integrals with labels," and this is the proposed
 
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** new standard for storing two-electron integrals and their (absolute)
 
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** orbital labels.  This function closes the output file when finished.
 
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**
 
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**    \param itap     = unit to write to
 
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**    \param nbfso    = number of basis functions in symmetry orbitals
 
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**    \param ints     = two electron integrals 
 
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**    \param ioff     = the old ioff array for lexical ordering
 
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**    \param printflg = print flag (1 or 0)
 
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**    \param outfile  =  output file
 
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**
 
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** Revised 6/27/96 by CDS
 
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** \ingroup IWL
 
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*/
 
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void iwl_wrttwo(int itap, int nbfso, double *ints, int *ioff, double toler, 
 
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                int printflg, FILE *outfile)
 
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{
 
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  struct iwlbuf Buf;
 
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  iwl_buf_init(&Buf, itap, toler, 0, 0);
 
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  iwl_buf_wrt_all(&Buf, nbfso, ints, ioff, printflg, outfile);
 
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  iwl_buf_flush(&Buf, 1);
 
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  iwl_buf_close(&Buf, 1);
 
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}
 
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} /* extern "C" */