debug log in lassi excitations solver

MatthewRHermes · Sep 20, 2023 · d2d26fa · d2d26fa
1 parent b6d511b
commit d2d26fa
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/my_pyscf/lassi/excitations.py b/my_pyscf/lassi/excitations.py
@@ -579,6 +579,7 @@ def kernel (self, h1e, h2e, norb, nelec, ecore=0, ci0=None, orbsym=None, **kwarg
         e0 = self.solve_e0 (ecore, h1e, h2e, norb, nelec, ket)
         ci1 = ci0
         self.denom_q = e0 - self.e_q
+        log.debug ("Self-energy singularities in VRVSolver: {}".format (self.e_q))
         assert (not self.test_locmin (e0, ci1, warntag='Saddle-point initial guess'))
         warn_swap = True
         #print (lib.fp (ci0), self.denom_q)