Fix bug for writing to .xyz file after delete

4 years ago · e3dba9029a
parent 7ee87c767f
commit e3dba9029a
1 changed files with 1 additions and 0 deletions
--- a/src/elements.f90
+++ b/src/elements.f90
@ -533,6 +533,7 @@ module elements
        !accidentally overwrite values which need to be deleted
        do i = num, 1, -1
            node_num = node_num - ng_node(lat_ele(sorted_index(i)))
+            node_atoms = node_atoms - ng_node(lat_ele(sorted_index(i)))*basisnum(lat_ele(sorted_index(i)))
            if(sorted_index(i) == ele_num) then 
                r_node(:,:,:,sorted_index(i)) = 0.0_dp
                type_ele(sorted_index(i)) =''