From 56994393a07c4c58d53354e0f646e9cafcf58b24 Mon Sep 17 00:00:00 2001 From: Alex Date: Tue, 25 Feb 2020 10:11:12 -0500 Subject: [PATCH] Fix to bug causing incorrrect positions. Remeshing algorithm works --- src/opt_group.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/opt_group.f90 b/src/opt_group.f90 index 8ff789a..2176a88 100644 --- a/src/opt_group.f90 +++ b/src/opt_group.f90 @@ -370,7 +370,7 @@ module opt_group do inod = 1, 8 vlat = ele(:,inod) + (/ix, iy, iz /) do i = 1, 3 - vlat = vlat + bd_in_lat(2*i-1)-5 + vlat(i) = vlat(i) + bd_in_lat(2*i-1)-5 end do r_new_node(:,1,inod) = matmul(orient, matmul(fcc_mat, vlat))*remesh_lat_pam end do @@ -393,7 +393,7 @@ module opt_group if(lat_points(ix,iy,iz)) then vlat = (/ ix, iy, iz /) do i = 1, 3 - vlat = vlat + bd_in_lat(2*i-1)-5 + vlat(i) = vlat(i) + bd_in_lat(2*i-1)-5 end do r = matmul(orient, matmul(fcc_mat, vlat))*remesh_lat_pam call add_atom(remesh_type, sbox_atom(atom_index(1)), r)