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Viewing changes to src/bin/cints/DFT/free_grid_structs.cc

  • 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/cints/DFT/free_grid_structs.cc
 
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/*! \file free_grid_structs.cc
 
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    \ingroup CINTS
 
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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<cstdlib>
 
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#include<cmath>
 
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#include<libciomr/libciomr.h>
 
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#include"defines.h"
 
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#define EXTERN
 
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#include"global.h"
 
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#include <stdexcept>
 
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/* ---- Cleanup the primitive classes ---- */
 
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namespace psi { namespace CINTS {
 
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  void cleanup_sphere(leb_sphere_t sphere){
 
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    free(sphere.points);
 
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  }
 
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  void cleanup_prim_chunk(prim_leb_chunk_t chunk){
 
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    int i;
 
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    for(i=0;i<chunk.size;i++)
 
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        cleanup_sphere(chunk.spheres[i]);
 
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  }
 
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  void cleanup_prim_atomic_grid(prim_atomic_grid_t prim_atomic_grid){
 
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    int i;
 
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    for(i=0;i<prim_atomic_grid.chunk_num;i++)
 
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        cleanup_prim_chunk(prim_atomic_grid.leb_chunk[i]);
 
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  }
 
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  void cleanup_prim_atomic_grid_array(prim_atomic_grid_t *prim_array, int n){
 
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    int i;
 
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    for(i=0;i<n;i++)
 
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        cleanup_prim_atomic_grid(prim_array[i]);
 
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    free(prim_array);
 
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  }
 
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  /* ---- Cleanup the concrete classes ---- */
 
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  /*void cleanup_conc_chunk(struct leb_chunk_s *chunk){
 
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  int i;
 
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    for(i=0;i<chunk.size;i++)
 
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        cleanup_sphere(chunk.spheres[i]);
 
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        }*/
 
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  void cleanup_conc_atomic_grid(struct atomic_grid_s atomic_grid){
 
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    int i;
 
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    free(atomic_grid.leb_chunk);
 
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    /*for(i=0;i<atomic_grid.chunk_num;i++)
 
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        cleanup_conc_chunk(atomic_grid.leb_chunk[i]);*/
 
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  }
 
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  void cleanup_grid_type(grid_t grid){
 
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    int i;
 
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    if(grid.pruned_flag)
 
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        cleanup_prim_atomic_grid_array(grid.prim_pruned_atomic_grids,
 
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                                       grid.pruned_info.n_param_sets);
 
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    else
 
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        cleanup_prim_atomic_grid(grid.prim_atomic_grid);
 
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    for(i=0;i<Symmetry.num_unique_atoms;i++)
 
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        cleanup_conc_atomic_grid(grid.atomic_grid[i]);
 
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  }
 
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};};