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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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Lines of Context:
src/bin/ccenergy/t2.c
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#include <stdio.h>
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#include <stdlib.h>
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#include <libdpd/dpd.h>
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#define EXTERN
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#include "globals.h"
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void DT2(void), FaetT2(void), FmitT2(void), WmnijT2(void), WmbejT2(void);
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void BT2(void), ZT2(void), FT2(void), ET2(void), CT2(void), dijabT2(void);
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void BT2_AO(void);
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void status(char *, FILE *);
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void FT2_CC2(void);
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void t2_build(void)
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{
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dpdbuf4 tIjAb;
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double dotval;
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  DT2();
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  if(params.print & 2) status("<ij||ab> -> T2", outfile);
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  if(strcmp(params.wfn,"CC2") || strcmp(params.wfn,"EOM_CC2")) { /* skip all this is wfn=CC2 */
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    FaetT2();
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    FmitT2();
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    if(params.print & 2) status("F -> T2", outfile);
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    WmnijT2();
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    if(params.print & 2) status("Wmnij -> T2", outfile);
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    timer_on("BT2", outfile);
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    if(!strcmp(params.aobasis,"DISK") || !strcmp(params.aobasis,"DIRECT"))
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      BT2_AO();
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    else BT2();
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    if(params.print & 2) status("<ab||cd> -> T2", outfile);
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    timer_off("BT2", outfile);
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    ZT2();
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    if(params.print & 2) status("Z -> T2", outfile);
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    timer_on("FT2", outfile);
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    FT2();
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    if(params.print & 2) status("<ia||bc> -> T2", outfile);
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    timer_off("FT2", outfile);
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    ET2();
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    if(params.print & 2) status("<ij||ka> -> T2", outfile);
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    timer_on("WmbejT2", outfile);
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    WmbejT2();
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    if(params.print & 2) status("Wmbej -> T2", outfile);
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    timer_off("WmbejT2", outfile);
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    timer_on("CT2", outfile);
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    CT2();
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    if(params.print & 2) status("<ia||jb> -> T2", outfile);
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    timer_off("CT2", outfile);
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  }
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  else { /* For CC2, just include (FT2)c->T2 */
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    FT2_CC2();
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  }
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}