diff --git a/src/opt_delete.f90 b/src/opt_delete.f90 index b2f79bf..e099a76 100644 --- a/src/opt_delete.f90 +++ b/src/opt_delete.f90 @@ -127,7 +127,7 @@ module opt_delete !Now zero out the larger index if(first) then - if(i > nei) then + if(i < nei) then which_cell(:,i) = 0 cycle atom_loop else @@ -135,7 +135,7 @@ module opt_delete cell_list(num_nei,c(1) + ck, c(2) + cj, c(3) + ci) = 0 end if else - if(i < nei) then + if(i > nei) then which_cell(:,i) = 0 cycle atom_loop else