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Viewing changes to src/lib/libdpd/file4_mat_irrep_wrt_block.c

  • 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/lib/libdpd/file4_mat_irrep_wrt_block.c
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#include <stdio.h>
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#include <libciomr/libciomr.h>
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#include "dpd.h"
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int dpd_file4_mat_irrep_wrt_block(dpdfile4 *File, int irrep, int start_pq,
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                                 int num_pq)
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{
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  int rowtot, coltot, my_irrep;
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  int seek_block;
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  psio_address irrep_ptr, next_address;
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  long int size;
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  if(File->incore) {
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      dpd_file4_cache_dirty(File);  /* Flag this cache entry for writing */
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      return 0;  /* We're keeping this data in core */
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    }
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  my_irrep = File->my_irrep;
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  irrep_ptr = File->lfiles[irrep];
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  rowtot = num_pq;
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  coltot = File->params->coltot[irrep^my_irrep];
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  size = ((long) rowtot) * ((long) coltot);
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  /* Advance file pointer to current row */
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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_rd_block", stderr);
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    }
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    for(; start_pq > seek_block; start_pq -= seek_block)
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      irrep_ptr = psio_get_address(irrep_ptr, seek_block*coltot*sizeof(double));
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    irrep_ptr = psio_get_address(irrep_ptr, start_pq*coltot*sizeof(double));
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  }
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  if(rowtot && coltot)
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     psio_write(File->filenum, File->label, (char *) File->matrix[irrep][0],
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                size*((long) sizeof(double)), irrep_ptr, &next_address);
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  return 0;
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}