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Working code which picks random position slightly outside element bounds

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This commit is contained in:
Alex Selimov 2020-03-02 12:24:22 -05:00
parent b847cca4ab
commit 27faeee5ea
5 changed files with 154 additions and 69 deletions
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4
src/io.f90
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@ -730,7 +730,7 @@ module io
do i = 1, in_atoms
read(11,*) j, type, sbox, r(:)
r = r+newdisplace
call add_atom(new_type_to_type(type), sbox, r)
call add_atom(new_type_to_type(type), sbox+sub_box_num, r)
end do
!Read the elements
@ -742,7 +742,7 @@ module io
r_innode(:,ibasis,inod) = r_innode(:, ibasis, inod) + newdisplace
end do
end do
call add_element(etype, size, new_lattice_map(type), sbox+n, r_innode)
call add_element(etype, size, new_lattice_map(type), sbox+sub_box_num, r_innode)
end do
!Close the file being read