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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/lib/libdpd/file4_mat_irrep_row_rd.cc
 
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/*! \file
 
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    \ingroup DPD
 
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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 <libpsio/psio.h>
 
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#include <libqt/qt.h>
 
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#include "dpd.h"
 
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extern "C" {
 
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int dpd_file4_mat_irrep_row_rd(dpdfile4 *File, int irrep, int row)
 
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{
 
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  int coltot, my_irrep, seek_block;
 
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  psio_address row_ptr, next_address;
 
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  if(File->incore) return 0;  /* We already have this data in core */
 
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#ifdef DPD_TIMER
 
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  timer_on("f4_rowrd");
 
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#endif
 
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  my_irrep = File->my_irrep;
 
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  row_ptr = File->lfiles[irrep];
 
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  coltot = File->params->coltot[irrep^my_irrep];
 
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  /* Advance file pointer to current row --- careful about overflows! */
 
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  if(coltot) {
 
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    seek_block = DPD_BIGNUM/(coltot * sizeof(double)); /* no. of rows for which we can compute the address */
 
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    if(seek_block < 1) {
 
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      fprintf(stderr, "\nLIBDPD Error: each row of %s is too long to compute an address.\n",File->label);
 
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      dpd_error("dpd_file4_mat_irrep_row_rd", stderr);
 
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    }
 
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    for(; row > seek_block; row -= seek_block)
 
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      row_ptr = psio_get_address(row_ptr, seek_block*coltot*sizeof(double));
 
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    row_ptr = psio_get_address(row_ptr, row*coltot*sizeof(double));
 
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  }
 
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  if(coltot) 
 
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      psio_read(File->filenum, File->label, (char *) File->matrix[irrep][0],
 
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                coltot*sizeof(double), row_ptr, &next_address);
 
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#ifdef DPD_TIMER
 
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  timer_off("f4_rowrd");
 
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#endif
 
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  return 0;
 
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}
 
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} /* extern "C" */