From bed79552b6fbfb91308e5632619336d01ad1d343 Mon Sep 17 00:00:00 2001 From: Max Nusspickel Date: Sat, 23 Sep 2023 10:13:48 +0100 Subject: [PATCH] Fixes cluster dump solver capitalization issue --- vayesta/solver/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/vayesta/solver/__init__.py b/vayesta/solver/__init__.py index cfd7e0ad4..445acd512 100644 --- a/vayesta/solver/__init__.py +++ b/vayesta/solver/__init__.py @@ -127,6 +127,6 @@ def get_right_CC(*args, **kwargs): return UCISD_Solver else: return RCISD_Solver - if solver == "DUMP": + if solver.upper() == "DUMP": return DumpSolver raise ValueError("Unknown solver: %s" % solver)