aselimov/CACmb
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Fix to gfortran compatibility

Browse Source
This commit is contained in:
Alex Selimov 2020-10-28 17:51:23 -04:00
parent fd901648f2
commit 068b5d99a9
2 changed files with 7 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/elements.f90
View File

@ -370,7 +370,11 @@ module elements
subroutine set_max_esize subroutine set_max_esize
!This subroutine sets the maximum esize !This subroutine sets the maximum esize
max_esize=maxval(size_ele) if(allocated(size_ele)) then
max_esize=maxval(size_ele)
else
max_esize = 2
end if
end subroutine end subroutine
subroutine interpolate_atoms(type, esize, lat_type, r_in, type_interp, r_interp) subroutine interpolate_atoms(type, esize, lat_type, r_in, type_interp, r_interp)

4
src/io.f90
View File

@ -133,14 +133,14 @@ module io
do i = 1, ele_num do i = 1, ele_num
do inod = 1, ng_node(lat_ele(i)) do inod = 1, ng_node(lat_ele(i))
do ibasis = 1, basisnum(lat_ele(i)) do ibasis = 1, basisnum(lat_ele(i))
write(11, '(2i16, 3f23.15)') basis_type(ibasis,lat_ele(i)), 0, r_node(:,ibasis,inod,i) write(11, '(2i16, 3f23.15)') basis_type(ibasis,lat_ele(i)), 1, r_node(:,ibasis,inod,i)
end do end do
end do end do
end do end do
!Write atom positions !Write atom positions
do i = 1, atom_num do i = 1, atom_num
write(11, '(2i16, 3f23.15)') type_atom(i), 1, r_atom(:,i) write(11, '(2i16, 3f23.15)') type_atom(i), 0, r_atom(:,i)
end do end do
!Finish writing !Finish writing