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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/ccenergy/cc2_t2.cc
 
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/*! \file
 
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    \ingroup CCENERGY
 
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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 <libdpd/dpd.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 ccenergy {
 
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void dijabT2(void);
 
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void cc2_faeT2(void);
 
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void cc2_fmiT2(void);
 
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void cc2_WmbijT2(void);
 
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void cc2_WabeiT2(void);
 
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void DT2(void);
 
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void status(const char *s, FILE *out);
 
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void cc2_t2_build(void)
 
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{
 
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  DT2();
 
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  if((params.ref == 0) || params.t2_coupled) { /** RHF or ROHF with coupled T2's **/ 
 
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#ifdef TIME_CCENERGY
 
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    timer_on("fT2", outfile);
 
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#endif
 
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    cc2_faeT2(); cc2_fmiT2();
 
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    if(params.print & 2) status("f -> T2", outfile);
 
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#ifdef TIME_CCENERGY
 
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    timer_off("fT2", outfile);
 
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#endif
 
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  }
 
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#ifdef TIME_CCENERGY
 
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  timer_on("WmbijT2", outfile);
 
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#endif
 
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  cc2_WmbijT2();
 
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  if(params.print & 2) status("Wmbij -> T2", outfile);
 
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#ifdef TIME_CCENERGY
 
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  timer_off("WmbijT2", outfile);
 
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#endif
 
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#ifdef TIME_CCENERGY
 
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  timer_on("WabeiT2", outfile);
 
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#endif
 
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  cc2_WabeiT2();
 
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  if(params.print & 2) status("Wabei -> T2", outfile);
 
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#ifdef TIME_CCENERGY
 
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  timer_off("WabeiT2", outfile);
 
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#endif
 
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}
 
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}} // namespace psi::ccenergy