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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/cints/init_globals.cc
 
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/*! \file
 
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    \ingroup CINTS
 
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    \brief Initialise global variables.
 
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*/
 
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#include<cstdio>
 
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#include<cstdlib>
 
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#include<libint/libint.h>
 
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#include<psifiles.h>
 
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#include"defines.h"
 
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#define EXTERN
 
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#include"global.h"
 
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#include <stdexcept>
 
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namespace psi { namespace CINTS {
 
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  //! Initialize global variables.
 
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  void init_globals()
 
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  {
 
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    IOUnits.itap30 = 30;
 
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    IOUnits.itap33 = PSIF_SO_TEI;
 
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    IOUnits.itapDSCF = PSIF_DSCF;
 
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    IOUnits.itapG = PSIF_AO_TPDM;
 
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    IOUnits.itapD1ERI_SO = PSIF_SO_D1ERI;
 
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    IOUnits.itapR12 = PSIF_SO_R12;
 
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    IOUnits.itapT1  = PSIF_SO_R12T1;
 
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    IOUnits.itapERI_MO = PSIF_MO_TEI;
 
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    IOUnits.itapR12_MO = PSIF_MO_R12;
 
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    IOUnits.itapR12T2_MO = PSIF_MO_R12T2;
 
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    IOUnits.itapD = PSIF_AO_OPDM;
 
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    IOUnits.itapS = PSIF_OEI;
 
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    IOUnits.itapT = PSIF_OEI;
 
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    IOUnits.itapV = PSIF_OEI;
 
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    IOUnits.itapS_AO = PSIF_OEI;
 
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    IOUnits.itapMX_AO = PSIF_OEI;
 
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    IOUnits.itapMY_AO = PSIF_OEI;
 
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    IOUnits.itapMZ_AO = PSIF_OEI;
 
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    IOUnits.itapQXX_AO = PSIF_OEI;
 
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    IOUnits.itapQXY_AO = PSIF_OEI;
 
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    IOUnits.itapQXZ_AO = PSIF_OEI;
 
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    IOUnits.itapQYY_AO = PSIF_OEI;
 
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    IOUnits.itapQYZ_AO = PSIF_OEI;
 
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    IOUnits.itapQZZ_AO = PSIF_OEI;
 
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    IOUnits.itapNablaX_AO = PSIF_OEI;
 
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    IOUnits.itapNablaY_AO = PSIF_OEI;
 
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    IOUnits.itapNablaZ_AO = PSIF_OEI;
 
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    IOUnits.itapOEInt_Misc = PSIF_OEI;
 
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    IOUnits.itapdgdB[0] = PSIF_AO_DGDBX;
 
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    IOUnits.itapdgdB[1] = PSIF_AO_DGDBY;
 
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    IOUnits.itapdgdB[2] = PSIF_AO_DGDBZ;
 
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    return;
 
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  }
 
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};};