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@ -46,7 +46,7 @@ module mode_metric
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case('def_grad')
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case('def_grad')
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allocate(met(9, np))
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allocate(met(9, np))
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case('microrotation')
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case('microrotation')
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allocate(met(3,np))
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allocate(met(4,np))
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end select
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end select
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!Now set the reference positions
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!Now set the reference positions
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@ -174,6 +174,7 @@ module mode_metric
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end do
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end do
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end do
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end do
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end do
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end do
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met(4,ip) = norm2(met(1:3,ip))
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end if
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end if
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end if
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end if
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end select
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end select
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@ -222,14 +223,14 @@ module mode_metric
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select case(metric_type)
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select case(metric_type)
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case('def_grad')
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case('def_grad')
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write(11,*) "type x y z F11 F12 F13 F21 F22 F23 F31 F32 F33"
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write(11,*) "type element x y z F11 F12 F13 F21 F22 F23 F31 F32 F33"
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case('microrotation')
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case('microrotation')
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write(11,*) "type x y z micro1 micro2 micro3"
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write(11,*) "type element x y z micro1 micro2 micro3 norm2(micro)"
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end select
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end select
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if(atom_num > 0) then
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if(atom_num > 0) then
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do i = 1, atom_num
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do i = 1, atom_num
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write(11,*) 0, type_atom(i), r_atom(:,i), met(:,tag_atom(i))
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write(11,*) type_atom(i), 0, r_atom(:,i), met(:,tag_atom(i))
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end do
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end do
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end if
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end if
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@ -237,7 +238,7 @@ module mode_metric
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do i = 1, ele_num
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do i = 1, ele_num
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do inod = 1, ng_node(lat_ele(i))
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do inod = 1, ng_node(lat_ele(i))
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do ibasis = 1, basisnum(lat_ele(i))
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do ibasis = 1, basisnum(lat_ele(i))
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write(11,*) 1, basis_type(ibasis,lat_ele(i)), r_node(:,ibasis,inod,i), &
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write(11,*) basis_type(ibasis,lat_ele(i)), 1, r_node(:,ibasis,inod,i), &
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met(:, atom_num+(tag_ele(i)-1)*max_ng_node*max_basisnum + (inod-1)*max_basisnum + ibasis)
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met(:, atom_num+(tag_ele(i)-1)*max_ng_node*max_basisnum + (inod-1)*max_basisnum + ibasis)
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end do
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end do
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end do
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end do
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