From 6739154b067ca7a343977de9d5d9e650af6a00ca Mon Sep 17 00:00:00 2001 From: Matthew R Hermes Date: Tue, 30 Jul 2024 11:52:48 -0500 Subject: [PATCH] docstring missing line --- my_pyscf/lassi/lassi.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/my_pyscf/lassi/lassi.py b/my_pyscf/lassi/lassi.py index 8c5f964d..8ed9f3a1 100644 --- a/my_pyscf/lassi/lassi.py +++ b/my_pyscf/lassi/lassi.py @@ -664,6 +664,9 @@ def root_make_rdm12s (las, ci, si, state=0, orbsym=None, soc=None, break_symmetr Linear combination vectors defining LASSI states. Kwargs: + state: integer or sequence of integers + Identify the specific LASSI eigenstate(s) for which the density matrices are + to be computed. orbsym: None or list of orbital symmetries spanning the whole orbital space soc: logical Whether to include the effects of spin-orbit coupling (in the 1-RDMs only)