From b530b1539790bf5d98a7adb6836d0c824f68fb15 Mon Sep 17 00:00:00 2001 From: Alex Selimov Date: Thu, 22 Jul 2021 15:10:18 -0400 Subject: [PATCH] Fix opt_delete overlap --- src/opt_delete.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) 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