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First working version of reading in .cac format. Works for two separate orientations

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This commit is contained in:
Alex Selimov 2020-06-02 16:42:12 -04:00
parent 4038cab76f
commit b52d7761e0
4 changed files with 34 additions and 29 deletions
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5
src/elements.f90
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@ -646,7 +646,7 @@ module elements
if ((basisnum(j) == in_bnum).and.(ng_node(j) == in_ngnodes).and.(is_equal(lapa(j),in_lapa))) then
!Now check lattice level variables
do ibasis = 1, basisnum(j)
if(basis_type(ibasis,j) /= in_btypes(ibasis)) cycle old_loop
if(basis_type(ibasis,j) /= in_btypes(ibasis)) cycle lat_loop
end do
lat_type = j
exit lat_loop
@ -657,9 +657,10 @@ module elements
if( lat_type == 0) then
lattice_types = lattice_types + 1
basisnum(lattice_types) = in_bnum
basis_types(:,lattice_types) = in_btypes
basis_type(:,lattice_types) = in_btypes
ng_node(lattice_types) = in_ngnodes
lapa(lattice_types) = in_lapa
lat_type = lattice_types
end if
end subroutine lattice_map