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Added orient and unorient options

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This commit is contained in:
Alex Selimov 2020-02-03 17:30:41 -05:00
parent 58ad74ca9a
commit 44efb4be4a
6 changed files with 77 additions and 30 deletions
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src/opt_group.f90
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@ -229,7 +229,7 @@ module opt_group
!here as well to make sure they are in the box
do j = 1, basisnum(lat_ele(ie))*size_ele(ie)**3
call apply_periodic(r_interp(:,j))
call add_atom(type_interp(j), r_interp(:,j))
call add_atom(type_interp(j), sbox_ele(ie), r_interp(:,j))
end do
end do