From 58fb24df5077a79892fbb3f637c2830d063b8236 Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Thu, 14 Dec 2023 14:51:55 -0800 Subject: [PATCH] fix bug --- pynta/main.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pynta/main.py b/pynta/main.py index 3e8cf088..f7983362 100644 --- a/pynta/main.py +++ b/pynta/main.py @@ -123,7 +123,7 @@ def generate_slab(self,skip_launch=False): if self.a is None: a = get_lattice_parameters(self.metal,self.surface_type,self.software,self.lattice_opt_software_kwargs) print("computed lattice constants of: {} Angstroms".format(a)) - if not isinstance(a,list): + if isinstance(a,float): self.a = a else: self.a = a[0]