From 96e2242573982e74592baf083e281d672e05adc0 Mon Sep 17 00:00:00 2001 From: Alex Selimov Date: Fri, 14 Aug 2020 10:29:53 -0400 Subject: [PATCH] Fix to writing pycac files --- src/io.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/io.f90 b/src/io.f90 index aba4dd9..7bbf3c2 100644 --- a/src/io.f90 +++ b/src/io.f90 @@ -491,7 +491,7 @@ module io exit endif end do - write(11, '(4i16)') tag_ele(i), etype, 1, basis_type(1,lat_ele(i)) + write(11, '(4i16)') i, etype, 1, basis_type(1,lat_ele(i)) do inod = 1, ng_node(lat_ele(i)) do ibasis = 1, basisnum(lat_ele(i)) ip = ip + 1 @@ -505,7 +505,7 @@ module io if(atom_num /= 0) then write(11,14) do i = 1, atom_num - write(11, '(3i16, 3f23.15)') tag_atom(i), 1, type_atom(i), r_atom(:,i) + write(11, '(3i16, 3f23.15)') i, 1, type_atom(i), r_atom(:,i) end do end if