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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/libdpd/buf4_dot_self.cc
 
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/*! \file
 
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    \ingroup DPD
 
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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 "dpd.h"
 
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extern "C" {
 
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/* dpd_buf4_dot_self(): Evaluates the sum of the squares of the elements of a
 
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** given dpdbuf4.
 
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**
 
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** Arguments:
 
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**   dpdbuf4 *BufX: A pointer to the dpdbuf4.
 
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*/
 
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double dpd_buf4_dot_self(dpdbuf4 *BufX)
 
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{
 
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  int h, nirreps, my_irrep;
 
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  int row, col;
 
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  double alpha=0.0;
 
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  nirreps = BufX->params->nirreps;
 
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  my_irrep = BufX->file.my_irrep;
 
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  for(h=0; h < nirreps; h++) {
 
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      dpd_buf4_mat_irrep_init(BufX, h);
 
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      dpd_buf4_mat_irrep_rd(BufX, h);
 
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      for(row=0; row < BufX->params->rowtot[h]; row++)
 
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          for(col=0; col < BufX->params->coltot[h^my_irrep]; col++)
 
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              alpha += BufX->matrix[h][row][col] * BufX->matrix[h][row][col];
 
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      dpd_buf4_mat_irrep_close(BufX, h);
 
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    }
 
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  return alpha;
 
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}
 
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} /* extern "C" */
 
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