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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/dboc/rccsd.cc
 
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/*! \file
 
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    \ingroup DBOC
 
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    \brief Enter brief description of file here 
 
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*/
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#include <iostream>
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#include <stdio.h>
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#include <stdlib.h>
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#include <math.h>
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extern "C" {
 
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#include <cstdio>
 
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#include <cstdlib>
 
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#include <cmath>
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#include <libciomr/libciomr.h>
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#include <libqt/qt.h>
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#include <psifiles.h>
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}
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#include "moinfo.h"
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#include "mo_overlap.h"
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#include "float.h"
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// Wrap a>=b>=c indices into one composite index assuming S3 symmetry
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#define INDEX3_ORD(a,b,c) ( ((a)*(((a)+4)*((a)-1)+6)/6) + (((b)*(b+1))/2) + (c) )
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namespace psi { namespace dboc {
 
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extern MOInfo_t MOInfo;
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extern FILE *outfile;
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extern void done(const char *);
 
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extern "C" FILE *outfile;
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double eval_rccsd_derwfn_overlap()
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{
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  return (double)deter_ref*deter_ref;
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}
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}} // namespace psi::dboc