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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/bin/detci/civect.h
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#ifndef CIVECT_H
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#define CIVECT_H
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typedef unsigned long long int BIGINT;
 
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/*! \file
 
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    \ingroup DETCI
 
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    \brief Enter brief description of file here 
 
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*/
 
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#ifndef _psi_src_bin_detci_civect_h
 
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#define _psi_src_bin_detci_civect_h
 
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namespace psi { namespace detci {
 
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//typedef unsigned long long int BIGINT;
 
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typedef unsigned long int BIGINT;
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/*
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** CIVECT.H
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      int *Ib_size;              /* num bet strings in each block */
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      BIGINT *offset;            /* offsets for absolute numbering.  This
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                                    is a word offset, not a byte offset,
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                                    so unsigned long should be ok, and
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                                    shouldn't have to make this PSI_FPTR */
 
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                                    so unsigned long should be ok          */
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      int num_alpcodes;          /* number of possible (total) alpha codes */
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      int num_betcodes;          /* number of possible (total) beta codes */
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      int nirreps;               /* dimension of next four arrays */
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      int cur_buf;               /* current buffer in core */
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      int buf_locked;            /* is a memory buffer locked in/available?  */
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      int *units;                /* file numbers */
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      unsigned long *file_offset;/* offsets for vectors/blocks w/in files */ 
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      int *file_number;          /* unit number for given vector/block */
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      unsigned long *buf_size;   /* size of each buffer on disk 
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                                    (0...buf_per_vect) */
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      double ***blocks;          /* a matrix for each block                */
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      double *buffer;            /* pointer to buffer, same as blocks[0][0] */
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      int *zero_blocks;          /* array for which blocks happen to be 0   */
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      int *zero_block_file_number; /* file number for each zero_block array */
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      unsigned long *zero_block_offset; 
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                                 /* offset for zero_block arrays within
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                                    CI vector files */
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      int in_file;               /* increment for how many buffers in a file */
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      unsigned long cur_offset;  /* current offset, necessary for otf
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                                    zero_block constructs */
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      int extras;                /* accounts for extra buffers */
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      int units_used;            /* accounts for number of unit files used */  
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      int cur_unit;              /* current unit file */
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      int **offsets_done;        /* matrix elements of 1(0) if offsets set
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                                    or not */ 
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      int cur_size;              /* current size of buffer */
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      int first_unit;            /* first file unit number (if > 1) */ 
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      void print(FILE *outfile);
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      double operator*(CIvect &b);
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      void set_nvect(int i);
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      void write_detfile(int vector);
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      void reset_detfile(int vector);
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      void setarray(const double *a, int len);
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      void max_abs_vals(int nval, int *iac, int *ibc, int *iaidx, int *ibidx,
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         double *coeff, int neg_only);
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      void set_zero_block(int blocknum, int value);
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      void set_zero_blocks_all(void);
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      void copy_zero_blocks(CIvect &src);
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      void copy_offset_filenumber(CIvect &src);
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      void print_zero_blocks(void);
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      void scale_sigma(CIvect &Hd, CIvect &C,
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        struct stringwr **alplist, struct stringwr **betlist, int i, 
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        double *buf1, double *buf2);
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      void offsets_otf(int ivect, int buf);
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      int read_new_first_buf(void);
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      void write_new_first_buf(void);
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      void set_new_first_buf(int nfb);
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          int targetfile, int writeflag, int printflag);
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};
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#endif  /* CIVECT_H */
 
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}} // namespace psi::detci
 
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#endif  // header guard
 
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