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Working commit for dislocation generation branch

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Alex 2019-12-25 16:30:18 -05:00
parent 41024b9674
commit d0e6253d64
9 changed files with 114 additions and 17 deletions
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12
src/io.f90
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@ -409,7 +409,7 @@ module io
end do
!Write the number of atom types in the current model and all of their names
write(11,*) atom_types, (type_to_name(i), i=1, atom_types)
write(11,*) atom_types, (type_to_name(i)//' ', i=1, atom_types)
!Write the number of lattice_types, basisnum and number of nodes for each lattice type
write(11,*) lattice_types, (basisnum(i), i = 1, lattice_types), (ng_node(i), i = 1, lattice_types)
!Now for every lattice type write the basis atom types
@ -544,10 +544,14 @@ module io
read(11,*) sub_box_bd(:,sub_box_num+i)
sub_box_bd(:,sub_box_num+i) = sub_box_bd(:, sub_box_num+i) + displace(:)
!Read in sub_box_array_bd
read(11,*) ((sub_box_ori(j, k, sub_box_num+i), j = 1, 2), k = 1, 2)
read(11,*) ((sub_box_array_bd(j, k, sub_box_num+i), j = 1, 2), k = 1, 2)
end do
sub_box_num = sub_box_num + n
!Add the existing element boundaries
sub_box_array_bd(:,1,sub_box_num+1:) = sub_box_array_bd(:,1,sub_box_num+1:) + atom_num
sub_box_array_bd(:,2,sub_box_num+1:) = sub_box_array_bd(:,2,sub_box_num+1:) + ele_num
sub_box_num = sub_box_num + n
!Read in the number of atom types and all their names
read(11, *) new_atom_types, (new_type_to_name(i), i = 1, new_atom_types)