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Fix bug for writing to .xyz file after delete

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Alex Selimov 2021-04-22 12:49:28 -04:00
parent 7ee87c767f
commit e3dba9029a
1 changed files with 1 additions and 0 deletions
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src/elements.f90
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@ -533,6 +533,7 @@ module elements
!accidentally overwrite values which need to be deleted !accidentally overwrite values which need to be deleted
do i = num, 1, -1 do i = num, 1, -1
node_num = node_num - ng_node(lat_ele(sorted_index(i))) 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 if(sorted_index(i) == ele_num) then
r_node(:,:,:,sorted_index(i)) = 0.0_dp r_node(:,:,:,sorted_index(i)) = 0.0_dp
type_ele(sorted_index(i)) ='' type_ele(sorted_index(i)) =''