warn instead of fail

adc-connect · Aug 25, 2024 · c752d1c · c752d1c
1 parent beb082d
commit c752d1c
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/adcc/workflow.py b/adcc/workflow.py
@@ -359,7 +359,7 @@ def diagonalise_adcmatrix(matrix, n_states, kind, eigensolver="davidson",
     if conv_tol is None:
         conv_tol = max(10 * reference_state.conv_tol, 1e-6)
     if reference_state.conv_tol > conv_tol:
-        raise InputError(
+        warnings.warn(
             "Convergence tolerance of SCF results "
             f"(== {reference_state.conv_tol}) needs to be lower than ADC "
             f"convergence tolerance parameter conv_tol (== {conv_tol})."