random_site Module Reference
Functions/Subroutines | |
| pure integer function, dimension(4), public | simple_cubic_random_site (setup) |
| Function to get a random site on the simple cubic lattice. | |
| pure integer function, dimension(4), public | simple_cubic_random_nbr (setup, site) |
| Function to get a random neighbour of a site on the simple cubic lattice. | |
| pure integer function, dimension(4), public | bcc_random_site (setup) |
| Function to get a random site on the bcc lattice. | |
| pure integer function, dimension(4), public | bcc_random_nbr (setup, site) |
| Function to get a random neighbour of a site on the bcc lattice. | |
| pure integer function, dimension(4), public | fcc_random_site (setup) |
| Function to get a random site on the fcc lattice. | |
| pure integer function, dimension(4), public | fcc_random_nbr (setup, site) |
| Function to get a random neighbour of a site on the fcc lattice. | |
| subroutine, public | pair_swap (config, idx1, idx2) |
| Function to swap a pair of lattice site occupancies. | |
Variables | |
| integer, dimension(3, 6), parameter | sc_nbrs = reshape((/ 0, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, -1, 0, -1, 0, -1, 0, 0 /), (/3, 6/)) |
| integer, dimension(3, 8), parameter | bcc_nbrs = reshape((/ 1, 1, 1, 1, 1, -1, 1, -1, 1, 1, -1, -1, -1, 1, 1, -1, 1, -1, -1, -1, 1, -1, -1, -1 /), (/3, 8/)) |
| integer, dimension(3, 12), parameter | fcc_nbrs = reshape((/ 0, 1, 1, 0, 1, -1, 0, -1, 1, 0, -1, -1, 1, 1, 0, 1, -1, 0, 1, 0, 1, 1, 0, -1, -1, 1, 0, -1, -1, 0, -1, 0, 1, -1, 0, -1 /), (/3, 12/)) |
Function/Subroutine Documentation
◆ bcc_random_nbr()
| pure integer function, dimension(4), public random_site::bcc_random_nbr | ( | class(run_params), intent(in) | setup, |
| integer, dimension(4), intent(in) | site ) |
Function to get a random neighbour of a site on the bcc lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters site Site for which to get the neighbour
- Returns
- Indices of a random neighbour of the input site
Definition at line 152 of file random_site.f90.
153
154 class(run_params), intent(in) :: setup
155 integer, dimension(4), intent(in) :: site
156 integer, dimension(4) :: nbr
157 integer :: n
158
159 ! Generate random integer corresponding to neighbour
160 n = floor(8.0_real64*genrand())+1
161
162 ! Make this the neighbour
163 nbr(2:) = site(2:) + bcc_nbrs(:,n)
164
165 ! Wrap coordinates into box
166 nbr(1) = 1
167 nbr(2) = modulo(nbr(2)-1, 2*setup%n_1) + 1
168 nbr(3) = modulo(nbr(3)-1, 2*setup%n_2) + 1
169 nbr(4) = modulo(nbr(4)-1, 2*setup%n_3) + 1
170
◆ bcc_random_site()
| pure integer function, dimension(4), public random_site::bcc_random_site | ( | class(run_params), intent(in) | setup | ) |
Function to get a random site on the bcc lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters
- Returns
- Indices of a random site on the bcc lattice
Definition at line 127 of file random_site.f90.
128
129 class(run_params), intent(in) :: setup
130 integer, dimension(4) :: site
131
132 site(1) = 1
133 site(4) = floor(2.0_real64*genrand()*real(setup%n_3, real64)) +1
134 site(2) = 2 * floor(genrand()*real(setup%n_1, real64)) &
135 + 2 - modulo(site(4), 2)
136 site(3) = 2 * floor(genrand()*real(setup%n_2, real64)) &
137 + 2 - modulo(site(4), 2)
138
◆ fcc_random_nbr()
| pure integer function, dimension(4), public random_site::fcc_random_nbr | ( | class(run_params), intent(in) | setup, |
| integer, dimension(4), intent(in) | site ) |
Function to get a random neighbour of a site on the fcc lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters site Site for which to get the neighbour
- Returns
- Indices of a random neighbour of the input site
Definition at line 206 of file random_site.f90.
207
208 class(run_params), intent(in) :: setup
209 integer, dimension(4), intent(in) :: site
210 integer, dimension(4) :: nbr
211 integer :: n
212
213 ! Generate random integer corresponding to neighbour
214 n = floor(12.0_real64*genrand())+1
215
216 ! Make this the neighbour
217 nbr(2:) = site(2:) + fcc_nbrs(:,n)
218
219 ! Wrap coordinates into box
220 nbr(1) = 1
221 nbr(2) = modulo(nbr(2)-1, 2*setup%n_1) + 1
222 nbr(3) = modulo(nbr(3)-1, 2*setup%n_2) + 1
223 nbr(4) = modulo(nbr(4)-1, 2*setup%n_3) + 1
224
◆ fcc_random_site()
| pure integer function, dimension(4), public random_site::fcc_random_site | ( | class(run_params), intent(in) | setup | ) |
Function to get a random site on the fcc lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters
- Returns
- Indices of a random site on the fcc lattice
Definition at line 182 of file random_site.f90.
183
184 class(run_params), intent(in) :: setup
185 integer, dimension(4) :: site
186
187 site(1) = 1
188 site(4) = floor(2.0_real64*genrand()*real(setup%n_3, real64)) + 1
189 site(2) = floor(2.0_real64*genrand()*real(setup%n_1, real64)) + 1
190 site(3) = 2 * floor(genrand()*real(setup%n_2, real64)) + 1 &
191 + modulo((site(2)-modulo(site(4),2)), 2)
192
◆ pair_swap()
| subroutine, public random_site::pair_swap | ( | integer(array_int), dimension(:,:,:,:) | config, |
| integer, dimension(4), intent(in) | idx1, | ||
| integer, dimension(4), intent(in) | idx2 ) |
Function to swap a pair of lattice site occupancies.
- Date
- 2019-2025
- Parameters
-
config System configuration idx1 Indices of first lattice site idx2 Indices of second lattice site
- Returns
- None
Definition at line 238 of file random_site.f90.
239
240 integer(array_int), dimension(:,:,:,:) :: config
241 integer, dimension(4), intent(in) :: idx1, idx2
242 integer(array_int) :: species1, species2
243
244 species1 = config(idx1(1), idx1(2), idx1(3), idx1(4))
245 species2 = config(idx2(1), idx2(2), idx2(3), idx2(4))
246
247 config(idx1(1), idx1(2), idx1(3), idx1(4)) = species2
248 config(idx2(1), idx2(2), idx2(3), idx2(4)) = species1
249
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◆ simple_cubic_random_nbr()
| pure integer function, dimension(4), public random_site::simple_cubic_random_nbr | ( | class(run_params), intent(in) | setup, |
| integer, dimension(4), intent(in) | site ) |
Function to get a random neighbour of a site on the simple cubic lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters site Site for which to get the neighbour
- Returns
- Indices of a random neighbour of the input site
Definition at line 97 of file random_site.f90.
98
99 class(run_params), intent(in) :: setup
100 integer, dimension(4), intent(in) :: site
101 integer, dimension(4) :: nbr
102 integer :: n
103
104 ! Generate random integer corresponding to neighbour
105 n = floor(6.0_real64*genrand())+1
106
107 ! Make this the neighbour
108 nbr(2:) = site(2:) + sc_nbrs(:,n)
109
110 ! Wrap coordinates into box
111 nbr(1) = 1
112 nbr(2) = modulo(nbr(2)-1, 2*setup%n_1) + 1
113 nbr(3) = modulo(nbr(3)-1, 2*setup%n_2) + 1
114 nbr(4) = modulo(nbr(4)-1, 2*setup%n_3) + 1
115
◆ simple_cubic_random_site()
| pure integer function, dimension(4), public random_site::simple_cubic_random_site | ( | class(run_params), intent(in) | setup | ) |
Function to get a random site on the simple cubic lattice.
- Date
- 2019-2025
- Parameters
-
setup Derived type containing simulation parameters
- Returns
- Indices of a random site on the simple cubic lattice
Definition at line 74 of file random_site.f90.
75
76 class(run_params), intent(in) :: setup
77 integer, dimension(4) :: site
78
79 site(1) = 1
80 site(2) = floor(genrand()*2.0_real64*real(setup%n_1)) +1
81 site(3) = floor(genrand()*2.0_real64*real(setup%n_2)) +1
82 site(4) = floor(genrand()*2.0_real64*real(setup%n_3)) +1
83
Variable Documentation
◆ bcc_nbrs
|
private |
Definition at line 38 of file random_site.f90.
38 integer, parameter, dimension(3,8) :: &
39 bcc_nbrs = reshape((/ 1, 1, 1, &
40 1, 1, -1, &
41 1, -1, 1, &
42 1, -1, -1, &
43 -1, 1, 1, &
44 -1, 1, -1, &
45 -1, -1, 1, &
46 -1, -1, -1 /), (/3, 8/))
◆ fcc_nbrs
|
private |
Definition at line 49 of file random_site.f90.
49 integer, parameter, dimension(3,12) :: &
50 fcc_nbrs = reshape((/ 0, 1, 1, &
51 0, 1, -1, &
52 0, -1, 1, &
53 0, -1, -1, &
54 1, 1, 0, &
55 1, -1, 0, &
56 1, 0, 1, &
57 1, 0, -1, &
58 -1, 1, 0, &
59 -1, -1, 0, &
60 -1, 0, 1, &
61 -1, 0, -1 /), (/3, 12/))
◆ sc_nbrs
|
private |
Definition at line 29 of file random_site.f90.
29 integer, parameter, dimension(3,6) :: &
30 sc_nbrs = reshape((/ 0, 0, 1, &
31 0, 1, 0, &
32 1, 0, 0, &
33 0, 0, -1, &
34 0, -1, 0, &
35 -1, 0, 0 /), (/3, 6/))
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