TABLE OF CONTENTS


ABINIT/m_unittests [ Modules ]

[ Top ] [ Modules ]

NAME

 m_unittests

FUNCTION

 Module to implement unit tests

COPYRIGHT

 Copyright (C) 1999-2022 ABINIT group (HM)
 This file is distributed under the terms of the
 GNU General Public Licence, see ~abinit/COPYING
 or http://www.gnu.org/copyleft/gpl.txt .
 For the initials of contributors, see ~abinit/doc/developers/contributors.txt .

SOURCE

17 #if defined HAVE_CONFIG_H
18 #include "config.h"
19 #endif
20 
21 #include "abi_common.h"
22 
23 module m_unittests
24 
25  use defs_basis
26  use m_errors
27  use m_abicore
28  use m_crystal
29  use m_defs_ptgroups
30  use m_ptgroups
31  use m_tetrahedron
32  use m_htetra
33  use m_krank
34  use m_symkpt
35  use m_sort
36  use m_xmpi
37  use m_nctk
38 #ifdef HAVE_NETCDF
39  use netcdf
40 #endif
41 
42  use m_time,            only : cwtime, cwtime_report
43  use m_fstrings,        only : ltoa, itoa, sjoin, strcat
44  use m_numeric_tools,   only : linspace, ctrap, simpson_int
45  use m_special_funcs,   only : gaussian
46  use m_symtk,           only : matr3inv
47  use m_io_tools,        only : open_file
48  use m_kpts,            only : kpts_ibz_from_kptrlatt, listkk
49  use m_geometry,        only : normv
50 
51  implicit none
52 
53  public :: tetra_unittests
54  public :: tetra_zinv_convergence
55  public :: kptrank_unittests

m_unittests/crystal_from_ptgroup [ Functions ]

[ Top ] [ m_unittests ] [ Functions ]

NAME

  crystal_from_ptgroup

FUNCTION

  Create a crystal structure from a user defined point group


m_unittests/kptrank_unittests [ Functions ]

[ Top ] [ m_unittests ] [ Functions ]

NAME

  kptrank_unittests

FUNCTION

  Test the krank routines


m_unittests/rprimd_from_ptgroup [ Functions ]

[ Top ] [ m_unittests ] [ Functions ]

NAME

  rprimd_from_ptgroup

FUNCTION

  Generate rprimd compatible with the point group
  This is only for testing porposes


m_unittests/tetra_unittests [ Functions ]

[ Top ] [ m_unittests ] [ Functions ]

NAME

  tetra_unittests

FUNCTION

  Unit tests for the tetrahedron routines


m_unittests/tetra_zinv_convergence [ Functions ]

[ Top ] [ m_unittests ] [ Functions ]

NAME

  tetra_zinv_convergence

FUNCTION