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Added functionality so you can refine elements prior to operating on the group

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This commit is contained in:
Alex Selimov 2020-05-20 11:07:21 -04:00
parent b28875b3e1
commit 8cb9787ea2
1 changed files with 21 additions and 6 deletions
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27
src/opt_group.f90
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@ -37,16 +37,27 @@ module opt_group
call parse_group(arg_pos) call parse_group(arg_pos)
call get_group
!Now call the transformation functions for the group !Now call the transformation functions for the group
if(displace) call displace_group if(refine) then
call get_group
call refine_group
end if
if(remesh_size > 0) call remesh_group if(displace)then
call get_group
call displace_group
end if
if(delete) call delete_group if(delete)then
call get_group
call delete_group
end if
if(refine) call refine_group if(remesh_size > 0)then
call get_group
call remesh_group
end if
end subroutine group end subroutine group
@ -360,7 +371,11 @@ module opt_group
return return
end select end select
!Allocate variables to arbitrary size !Reset group if needed
if(allocated(element_index)) deallocate(element_index,atom_index)
group_ele_num = 0
group_atom_num = 0
allocate(element_index(1024), atom_index(1024)) allocate(element_index(1024), atom_index(1024))
!Check the type to see whether we need to find the elements within the group !Check the type to see whether we need to find the elements within the group
select case(trim(adjustl(type))) select case(trim(adjustl(type)))