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Fix opt_delete overlap

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Alex Selimov 2021-07-22 15:10:18 -04:00
parent 79fa4b3cb7
commit b530b15397
1 changed files with 2 additions and 2 deletions
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4
src/opt_delete.f90
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@ -127,7 +127,7 @@ module opt_delete
!Now zero out the larger index !Now zero out the larger index
if(first) then if(first) then
if(i > nei) then if(i < nei) then
which_cell(:,i) = 0 which_cell(:,i) = 0
cycle atom_loop cycle atom_loop
else else
@ -135,7 +135,7 @@ module opt_delete
cell_list(num_nei,c(1) + ck, c(2) + cj, c(3) + ci) = 0 cell_list(num_nei,c(1) + ck, c(2) + cj, c(3) + ci) = 0
end if end if
else else
if(i < nei) then if(i > nei) then
which_cell(:,i) = 0 which_cell(:,i) = 0
cycle atom_loop cycle atom_loop
else else