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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/bin/ccsort/e_spinad.cc
 
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/*! \file
 
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    \ingroup CCSORT
 
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    \brief Enter brief description of file here 
 
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*/
 
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#include <cstdio>
 
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#include <cstdlib>
 
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#include <libciomr/libciomr.h>
 
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#include <libdpd/dpd.h>
 
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#include "MOInfo.h"
 
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#include "Params.h"
 
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#define EXTERN
 
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#include "globals.h"
 
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namespace psi { namespace ccsort {
 
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void e_spinad(void)
 
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{
 
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  dpdbuf4 E, E1;
 
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  if(params.ref == 0) { /*** RHF ***/
 
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    dpd_buf4_init(&E, CC_EINTS, 0, 11, 0, 11, 0, 0, "E <ai|jk>");
 
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    dpd_buf4_scmcopy(&E, CC_EINTS, "E 2<ai|jk> - <ai|kj>", 2);
 
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    dpd_buf4_sort(&E, CC_TMP0, pqsr, 11, 0, "E <ai|kj>");
 
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    dpd_buf4_close(&E);
 
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    dpd_buf4_init(&E, CC_EINTS, 0, 11, 0, 11, 0, 0, "E 2<ai|jk> - <ai|kj>");
 
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    dpd_buf4_init(&E1, CC_TMP0, 0, 11, 0, 11, 0, 0, "E <ai|kj>");
 
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    dpd_buf4_axpy(&E1, &E, -1);
 
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    dpd_buf4_close(&E1);
 
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    dpd_buf4_close(&E);
 
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  }
 
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}
 
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}} // namespace psi::ccsort