Octopus
curv_briggs.F90
Go to the documentation of this file.
1!! Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
2!!
3!! This program is free software; you can redistribute it and/or modify
4!! it under the terms of the GNU General Public License as published by
5!! the Free Software Foundation; either version 2, or (at your option)
6!! any later version.
7!!
8!! This program is distributed in the hope that it will be useful,
9!! but WITHOUT ANY WARRANTY; without even the implied warranty of
10!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
11!! GNU General Public License for more details.
12!!
13!! You should have received a copy of the GNU General Public License
14!! along with this program; if not, write to the Free Software
15!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
16!! 02110-1301, USA.
17!!
18
19#include "global.h"
20
25
28 use debug_oct_m
29 use global_oct_m
32 use parser_oct_m
34
35 implicit none
36
37 private
38 public :: &
41
42 type, extends(coordinate_system_t) :: curv_briggs_t
43 private
44 real(real64), allocatable :: lsize(:)
45 real(real64) :: beta
46 contains
47 procedure :: to_cartesian => curv_briggs_to_cartesian
48 procedure :: from_cartesian => curv_briggs_from_cartesian
49 procedure :: det_jac => curv_briggs_det_jac
50 procedure :: write_info => curv_briggs_write_info
51 procedure :: surface_element => curv_briggs_surface_element
53 end type curv_briggs_t
54
55 interface curv_briggs_t
56 procedure curv_briggs_constructor
57 end interface curv_briggs_t
58
59contains
60
61 ! ---------------------------------------------------------
62 function curv_briggs_constructor(namespace, dim, lsize, spacing) result(briggs)
63 type(namespace_t), intent(in) :: namespace
64 integer, intent(in) :: dim
65 real(real64), intent(in) :: lsize(1:dim)
66 real(real64), intent(in) :: spacing(1:dim)
67 class(curv_briggs_t), pointer :: briggs
68
69 integer :: idim
70
72
73 safe_allocate(briggs)
74
75 briggs%local_basis = .true.
76 briggs%orthogonal = .true. ! This needs to be checked
77 briggs%dim = dim
78 safe_allocate(briggs%lsize(1:dim))
79 briggs%lsize(1:dim) = lsize(1:dim)
80
81 !%Variable CurvBriggsBeta
82 !%Type float
83 !%Default 0.5
84 !%Section Mesh::Derivatives
85 !%Description
86 !% Undocumented
87 !%End
88 call parse_variable(namespace, 'CurvBriggsBeta', m_half, briggs%beta)
89
90 if (briggs%beta < m_zero .or. briggs%beta > m_one) then
91 message(1) = 'The parameter "CurvBriggsBeta" must lie between 0 and 1.'
92 call messages_fatal(1, namespace=namespace)
93 end if
94
95 briggs%min_mesh_scaling_product = m_one
96 do idim = 1, briggs%dim
97 ! corresponds to the distance of grid points at [+spacing/2,-spacing/2]
98 briggs%min_mesh_scaling_product = briggs%min_mesh_scaling_product * (m_one / &
99 (m_one - briggs%lsize(idim) * briggs%beta / (m_pi * spacing(idim)) * sin(m_pi * spacing(idim) / briggs%lsize(idim))))
100 end do
101
103 end function curv_briggs_constructor
104
105 ! ---------------------------------------------------------
106 subroutine curv_briggs_finalize(this)
107 type(curv_briggs_t), intent(inout) :: this
108
109 push_sub(curv_briggs_finalize)
110
111 safe_deallocate_a(this%lsize)
112
113 pop_sub(curv_briggs_finalize)
114 end subroutine curv_briggs_finalize
115
116 ! ---------------------------------------------------------
117 subroutine curv_briggs_copy(this_out, this_in)
118 type(curv_briggs_t), intent(inout) :: this_out
119 type(curv_briggs_t), intent(in) :: this_in
120
121 push_sub(curv_briggs_copy)
122
123 safe_allocate_source_a(this_out%lsize, this_in%lsize)
124 this_out%beta = this_in%beta
125
126 pop_sub(curv_briggs_copy)
127 end subroutine curv_briggs_copy
128
129 ! ---------------------------------------------------------
130 pure function curv_briggs_to_cartesian(this, chi) result(xx)
131 class(curv_briggs_t), target, intent(in) :: this
132 real(real64), intent(in) :: chi(:)
133 real(real64) :: xx(1:this%dim)
134
135 ! no PUSH_SUB, called too often
136
137 xx = chi - this%lsize*this%beta/(m_two*m_pi)*sin(m_two*m_pi*chi/this%lsize)
139 end function curv_briggs_to_cartesian
141 ! ---------------------------------------------------------
142 function curv_briggs_from_cartesian(this, xx) result(chi)
143 class(curv_briggs_t), target, intent(in) :: this
144 real(real64), intent(in) :: xx(:)
145 real(real64) :: chi(1:this%dim)
146
147 ! no PUSH_SUB, called too often
148
149 chi = m_zero
150 message(1) = "Internal error in curv_briggs_from_cartesian"
151 call messages_fatal(1)
152
153 end function curv_briggs_from_cartesian
154
155 ! ---------------------------------------------------------
156 pure real(real64) function curv_briggs_det_jac(this, xx, chi) result(jdet)
157 class(curv_briggs_t), intent(in) :: this
158 real(real64), intent(in) :: xx(:)
159 real(real64), intent(in) :: chi(:)
160
161 integer :: idim
162 real(real64) :: jac(1:this%dim)
163
164 ! no PUSH_SUB, called too often
165
166 ! Jacobian is diagonal in this method
167 do idim = 1, this%dim
168 jac(idim) = m_one - this%beta*cos(m_two*m_pi*chi(idim)/this%lsize(idim))
169 end do
170 jdet = product(jac)
171
172 end function curv_briggs_det_jac
173
174 ! ---------------------------------------------------------
175 subroutine curv_briggs_write_info(this, iunit, namespace)
176 class(curv_briggs_t), intent(in) :: this
177 integer, optional, intent(in) :: iunit
178 type(namespace_t), optional, intent(in) :: namespace
179
180 push_sub(curv_briggs_write_info)
181
182 write(message(1), '(a)') ' Curvilinear Method = briggs'
183 call messages_info(1, iunit=iunit, namespace=namespace)
184
186 end subroutine curv_briggs_write_info
187
188 ! ---------------------------------------------------------
189 real(real64) function curv_briggs_surface_element(this, idir) result(ds)
190 class(curv_briggs_t), intent(in) :: this
191 integer, intent(in) :: idir
192
193 ds = m_zero
194 message(1) = 'Surface element with briggs curvilinear coordinates not implemented'
195 call messages_fatal(1)
196
197 end function curv_briggs_surface_element
198
200
201!! Local Variables:
202!! mode: f90
203!! coding: utf-8
204!! End:
double sin(double __x) __attribute__((__nothrow__
double cos(double __x) __attribute__((__nothrow__
This module implements the curvilinear coordinates given in E.L. Briggs, D.J. Sullivan,...
class(curv_briggs_t) function, pointer curv_briggs_constructor(namespace, dim, lsize, spacing)
pure real(real64) function curv_briggs_det_jac(this, xx, chi)
subroutine, public curv_briggs_copy(this_out, this_in)
real(real64) function curv_briggs_surface_element(this, idir)
subroutine curv_briggs_finalize(this)
pure real(real64) function, dimension(1:this%dim) curv_briggs_to_cartesian(this, chi)
subroutine curv_briggs_write_info(this, iunit, namespace)
real(real64) function, dimension(1:this%dim) curv_briggs_from_cartesian(this, xx)
real(real64), parameter, public m_two
Definition: global.F90:190
real(real64), parameter, public m_zero
Definition: global.F90:188
real(real64), parameter, public m_pi
some mathematical constants
Definition: global.F90:186
real(real64), parameter, public m_half
Definition: global.F90:194
real(real64), parameter, public m_one
Definition: global.F90:189
character(len=256), dimension(max_lines), public message
to be output by fatal, warning
Definition: messages.F90:160
subroutine, public messages_fatal(no_lines, only_root_writes, namespace)
Definition: messages.F90:414
subroutine, public messages_info(no_lines, iunit, debug_only, stress, all_nodes, namespace)
Definition: messages.F90:616
abstract class to describe coordinate systems
int true(void)