← Back to branch summary

~ubuntu-branches/ubuntu/quantal/psicode/quantal

« back to all changes in this revision

Viewing changes to src/bin/extrema/Deloc/deloc.h

  • 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.

Show diffs side-by-side

added added

removed removed

Lines of Context:
src/bin/extrema/Deloc/deloc.h
 
1
#ifndef _psi_bin_extrema_deloc_h_
 
2
#define _psi_bin_extrema_deloc_h_
 
3
 
 
4
namespace psi { namespace extrema {
 
5
 
1
6
/*###########################################################################*/
2
 
/*! \file deloc.h
 
7
/*! 
 
8
  \file
 
9
  \ingroup EXTREMA
3
10
  \brief Header file for the deloc (delocalized internals) class. */
4
11
 
5
12
/*! \class deloc
53
60
    ~deloc() {
54
61
        free(point_group);
55
62
        free(simples);
56
 
        free_int_matrix(bonds,num_atoms);
 
63
        free_int_matrix(bonds);
57
64
        return; 
58
65
    }
59
66
    void optimize();
62
69
 
63
70
/*! \fn deloc::~deloc() 
64
71
  \brief Frees memory. */
 
72
 
 
73
}} // namespace psi::extrema
 
74
 
 
75
#endif // header guard