Notch group shape
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Alex Selimov
parent
9ccc5f1caf
commit
66670671b5
3 changed files with 108 additions and 11 deletions
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@ -10,7 +10,7 @@ module opt_group
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integer :: group_ele_num, group_atom_num, remesh_size,normal, dim1, dim2
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character(len=15) :: type, shape !Type indicates what element type is selected and shape is the group shape
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real(kind=dp) :: block_bd(6), centroid(3), vertices(3,3),disp_vec(3)
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real(kind=dp) :: block_bd(6), centroid(3), vertices(3,3),disp_vec(3), tip_radius, bwidth
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logical :: displace, delete, max_remesh, refine
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integer, allocatable :: element_index(:), atom_index(:)
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@ -56,7 +56,7 @@ module opt_group
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integer :: i, j, arglen, in_num
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character(len=100) :: textholder, type_spec
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real(kind=dp) bwidth, wheight
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real(kind=dp) H
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!Parse type and shape command
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arg_pos = arg_pos + 1
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@ -131,6 +131,65 @@ module opt_group
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end if
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end do
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case('notch')
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arg_pos = arg_pos + 1
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call get_command_argument(arg_pos, textholder, arglen)
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if (arglen==0) STOP "Missing normal dim in group notch command"
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read(textholder,*) dim1
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arg_pos = arg_pos + 1
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call get_command_argument(arg_pos, textholder, arglen)
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if (arglen==0) STOP "Missing normal dim in group notch command"
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read(textholder,*) dim2
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do i = 1, 3
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arg_pos = arg_pos + 1
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call get_command_argument(arg_pos, textholder, arglen)
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if (arglen==0) STOP "Missing centroid in group notch command"
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call parse_pos(i, textholder, centroid(i))
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end do
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arg_pos = arg_pos + 1
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call get_command_argument(arg_pos, textholder, arglen)
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if (arglen==0) STOP "Missing base width in group notch command"
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read(textholder,*) bwidth
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arg_pos = arg_pos + 1
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call get_command_argument(arg_pos, textholder, arglen)
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if (arglen==0) STOP "Missing tip radius in group notch command"
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read(textholder,*) tip_radius
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!Calculate the vertex positions
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vertices(:,1) = centroid
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vertices(dim2,1) = 0.0_dp
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do i = 1, 3
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if (i == dim1) then
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if (bwidth > 0) then
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vertices(i,2) = box_bd(2*i)
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vertices(i,3) = box_bd(2*i)
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H= (box_bd(2*i) - centroid(i)) !Calculate the height of the wedge
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else if (bwidth < 0) then
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vertices(i,2) = box_bd(2*i-1)
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vertices(i,3) = box_bd(2*i-1)
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H = (centroid(i) - box_bd(2*i-1))
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else
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print *, "bwidth cannot be 0 in wedge shaped group"
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stop 3
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end if
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else if (i == dim2) then
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vertices(i,2) = 0.0_dp
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vertices(i,3) = 0.0_dp
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else
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vertices(i,2) = centroid(i) + 0.5_dp*bwidth
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vertices(i,3) = centroid(i) - 0.5_dp*bwidth
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end if
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end do
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!Now update the centroid so that the desire tip diameter matches the wedge with
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if (bwidth > 0) then
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centroid(dim1) = centroid(dim1) + 2*tip_radius*(H)/bwidth
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end if
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!Read the ID type shape for group
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case('id')
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arg_pos = arg_pos + 1
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@ -285,15 +344,15 @@ module opt_group
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subroutine get_group
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!This subroutine finds all elements and/or atoms within the group boundaries
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!specified by the user.
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integer :: i, inod, ibasis
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integer :: i, j, inod, ibasis
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integer, allocatable :: resize_array(:)
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real(kind=dp) :: r_center(3)
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select case(trim(adjustl(shape)))
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case('block')
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print *, "Group has block shape with boundaries: ", block_bd
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case ('crack')
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print *, "Group has crack shape with dim1", dim1, "and dim2", dim2, "and vertices ", vertices
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case ('wedge')
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print *, "Group has wedge shape with dim1", dim1, "and dim2", dim2, "and vertices ", vertices
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case('id')
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print *, 'Group contains ', group_ele_num, " elements and ", group_atom_num, " atoms."
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return
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@ -343,6 +402,15 @@ module opt_group
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end if
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end do
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end select
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j = 0
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do i = 1, group_atom_num
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if (atom_index(i) == 23318348) then
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j = j + 1
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end if
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end do
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if (j > 1) stop "Code broken"
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print *, 'Group contains ', group_ele_num, " elements and ", group_atom_num, " atoms."
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end subroutine get_group
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@ -691,12 +759,29 @@ module opt_group
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function in_group(r)
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!This subroutine determines if a point is within the group boundaries
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real(kind=dp), intent(in) :: r(3)
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real(kind=dp) :: r_notch
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integer :: dim3, i
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logical :: in_group
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select case(trim(adjustl(shape)))
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case('block')
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in_group=in_block_bd(r,block_bd)
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case('wedge')
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in_group = in_wedge_bd(r,vertices)
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end select
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case('notch')
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do i = 1, 3
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if (.not.((dim1==i).or.(dim2==i))) dim3 = i
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end do
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in_group = in_wedge_bd(r,vertices)
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!Do a check to make sure the wedge isn't used if it should be the tip radius
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if (bwidth>0) then
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if (r(dim1) < centroid(dim1)) in_group = .false.
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end if
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r_notch = sqrt((r(dim1) - centroid(dim1))**2 + (r(dim3)-centroid(dim3))**2)
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in_group = in_group.or.(r_notch < tip_radius)
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end select
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end function in_group
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end module opt_group
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