Fix to bug causing incorrrect positions. Remeshing algorithm works

5 years ago · 56994393a0
parent c698c31ede
commit 56994393a0
1 changed files with 2 additions and 2 deletions
--- 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)