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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/DT2.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)
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{
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  dpdbuf4 D;
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  if(params.ref == 0) { /*** RHF ***/
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    dpd_buf4_init(&D, CC_DINTS, 0, 0, 5, 0, 5, 0, "D <ij|ab>");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tIjAb");
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    dpd_buf4_close(&D);
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  }
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  else if(params.ref == 1) { /*** ROHF ***/
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    dpd_buf4_init(&D, CC_DINTS, 0, 2, 7, 2, 7, 0, "D <ij||ab> (i>j,a>b)");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tIJAB");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tijab");
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    dpd_buf4_close(&D);
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    dpd_buf4_init(&D, CC_DINTS, 0, 0, 5, 0, 5, 0, "D <ij|ab>");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tIjAb");
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    dpd_buf4_close(&D);
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  }
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  else if(params.ref == 2) { /*** UHF ***/
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    dpd_buf4_init(&D, CC_DINTS, 0, 2, 7, 2, 7, 0, "D <IJ||AB> (I>J,A>B)");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tIJAB");
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    dpd_buf4_close(&D);
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    dpd_buf4_init(&D, CC_DINTS, 0, 12, 17, 12, 17, 0, "D <ij||ab> (i>j,a>b)");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tijab");
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    dpd_buf4_close(&D);
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    dpd_buf4_init(&D, CC_DINTS, 0, 22, 28, 22, 28, 0, "D <Ij|Ab>");
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    dpd_buf4_copy(&D, CC_TAMPS, "New tIjAb");
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    dpd_buf4_close(&D);
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  }
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}