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Merge branch 'ft--opt-dislloop' into development

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Alex Selimov 2020-01-13 20:24:15 -05:00
commit c89b7d3b59
11 changed files with 788 additions and 35 deletions
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14
src/io.f90
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@ -387,7 +387,7 @@ module io
write(11,3) node_num
write(11,19) max_ng_node
write(11,4) lattice_types
write(11,2) atom_num
write(11,5) atom_num
write(11,6) 1 !Grain_num is ignored
write(11,16) lattice_types, atom_types
write(11,21)
@ -481,7 +481,7 @@ 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
@ -616,10 +616,14 @@ 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)