uniform_move_snippet

uniform_move_snippet.f90 · 895 B · Fortran Исходник

1	! For the polar angle part, since projection is involved and therefore
2	! we need to guarantee that the projection is uniform. We don't need
3	! to do this for the phi angle since only rotation is involved in
4	! that case.
5	polar_ang = dacos(2.0d0*(rmca_ran(1)-0.5d0))
6	azim_ang = rmca_ran(1) * 2.0d0 * pi
7	rand_x = delta(move_type) * dsin(polar_ang) * dcos(azim_ang)
8	rand_y = delta(move_type) * dsin(polar_ang) * dsin(azim_ang)
9	rand_z = delta(move_type) * dcos(polar_ang)
10	! We go from the Cartesian coordinates to fractional with respect
11	! to the lattice.
12	move(4) = rand_x * inv_vectors_init(1,1) + &
13	rand_y * inv_vectors_init(1,2) + &
14	rand_z * inv_vectors_init(1,3)
15	move(5) = rand_x * inv_vectors_init(2,1) + &
16	rand_y * inv_vectors_init(2,2) + &
17	rand_z * inv_vectors_init(2,3)
18	move(6) = rand_x * inv_vectors_init(3,1) + &
19	rand_y * inv_vectors_init(3,2) + &
20	rand_z * inv_vectors_init(3,3)
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