imag shift change default to 1e-6

MatthewRHermes · Oct 26, 2023 · 2e6de35 · 2e6de35
1 parent 1ed46ad
commit 2e6de35
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/my_pyscf/lassi/excitations.py b/my_pyscf/lassi/excitations.py
@@ -14,7 +14,7 @@
 op = (op_o0, op_o1)
 
 LOWEST_REFOVLP_EIGVAL_THRESH = getattr (__config__, 'lassi_excitations_refovlp_eigval_thresh', 1e-9)
-IMAG_SHIFT = getattr (__config__, 'lassi_excitations_imag_shift', 0.0001)
+IMAG_SHIFT = getattr (__config__, 'lassi_excitations_imag_shift', 1e-6)
 
 def only_ground_states (ci0):
     '''For a list of sequences of CI vectors in the same Hilbert space,