Ensured that symm: use works with clearly defined origin

tproffen · Jan 11, 2018 · 0b5dc21 · 0b5dc21
1 parent 6fb513a
commit 0b5dc21
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/discus/prog/symm_sup.f90 b/discus/prog/symm_sup.f90
@@ -179,6 +179,8 @@ SUBROUTINE symm_setup
    sym_mat (:, :) = 0.0 
    sym_rmat(:, :) = 0.0 
    sym_mat (4, 4) = 1.0 
+   sym_orig(:)    = 0.0
+   sym_orig_mol   = .false.
 !
    sym_mat (:, :) = spc_mat(:,:, sym_use)
 !