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Viewing changes to src/lib/libdpd/buf4_print.c

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2006-09-10 14:01:33 UTC
  • Revision ID: james.westby@ubuntu.com-20060910140133-ib2j86trekykfsfv
Tags: upstream-3.2.3
Import upstream version 3.2.3

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src/lib/libdpd/buf4_print.c
 
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#include <stdio.h>
 
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#include "dpd.h"
 
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/* dpd_buf4_print(): Prints out data for all irreps of a dpd
 
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** four-index buffer.
 
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**
 
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** Arguments:
 
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**   dpdbuf4 *Buf: A pointer to the dpdbuf to be printed.
 
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**   FILE *outfile: The formatted output file stream.
 
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**   int print_data: 0 = print buf4 parameters only; 1 = print matrices
 
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*/
 
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int dpd_buf4_print(dpdbuf4 *Buf, FILE *outfile, int print_data)
 
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{
 
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  int h, i, all_buf_irrep;
 
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  dpdparams4 *Params;
 
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  all_buf_irrep = Buf->file.my_irrep;
 
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  Params = Buf->params;
 
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  fprintf(outfile, "\n\tDPD Buf4 for file4: %s\n", Buf->file.label);
 
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  fprintf(outfile, "\n\tDPD Parameters:\n");
 
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  fprintf(outfile,   "\t---------------\n");
 
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  fprintf(outfile,   "\tpqnum = %d   rsnum = %d\n",
 
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          Params->pqnum, Params->rsnum);
 
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  fprintf(outfile, "\t   Row and column dimensions for DPD Block:\n");
 
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  fprintf(outfile, "\t   ----------------------------------------\n");
 
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  for(i=0; i < Params->nirreps; i++)
 
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    fprintf(outfile,   "\t   Irrep: %1d row = %5d\tcol = %5d\n", i,
 
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            Params->rowtot[i], Params->coltot[i^all_buf_irrep]);
 
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  fflush(outfile);
 
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  if(print_data) {
 
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    for(h=0; h < Buf->params->nirreps; h++) {
 
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      fprintf(outfile, "\n\tFile %3d DPD Buf4: %s\n", Buf->file.filenum,
 
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              Buf->file.label);
 
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      fprintf(outfile,   "\tMatrix for Irrep %1d\n", h);
 
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      fprintf(outfile,   "\t----------------------------------------\n");
 
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      dpd_buf4_mat_irrep_init(Buf, h);
 
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      dpd_buf4_mat_irrep_rd(Buf, h);
 
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      dpd_4mat_irrep_print(Buf->matrix[h], Buf->params, h, all_buf_irrep, outfile);
 
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      dpd_buf4_mat_irrep_close(Buf, h);
 
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    }
 
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  }
 
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  return 0;
 
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}