TABLE OF CONTENTS


ABINIT/m_strain [ Modules ]

[ Top ] [ Modules ]

NAME

 m_strain

FUNCTION

 Module for get the strain
 Container type is defined

COPYRIGHT

 Copyright (C) 2010-2018 ABINIT group (AM)
 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

20 #if defined HAVE_CONFIG_H
21 #include "config.h"
22 #endif
23 
24 #include "abi_common.h"
25 
26 module m_strain
27 
28  use defs_basis
29  use m_errors
30  use m_abicore
31  use m_xmpi
32 
33  use m_symtk,         only : matr3inv
34 
35  implicit none
36 
37  private :: strain_def2strain
38  private :: strain_strain2def
39  public  :: strain_print
40  public  :: strain_get
41  public  :: strain_init
42  public  :: strain_apply

defs_abitypes/strain_type [ Types ]

[ Top ] [ defs_abitypes ] [ Types ]

NAME

 strain_type

FUNCTION

 structure for a effective potential constructed.

SOURCE

54  type, public :: strain_type
55    character(len=fnlen) :: name
56 !   name of the strain (iso,uniaxial,shear...)
57 
58    real(dp) :: delta
59 !   Value of the strain
60 
61    integer :: direction
62 !   Direction of the strain (-1 if isostatic)
63 
64    real(dp) :: strain(3,3)
65 !   Matrix representing the strain
66 
67  end type strain_type