From b2a4fa16fdd11b80d8a1b033b75ea38c9b103766 Mon Sep 17 00:00:00 2001 From: Alvin Noe Ladines Date: Fri, 19 Jan 2024 12:31:52 +0100 Subject: [PATCH] Minor fixes --- pyproject.toml | 2 +- runschema/system.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 3e3d850..ccb39e8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,7 +14,7 @@ dependencies = [ ] [project.urls] -homepage = "https://github.com/nomad-coe/nomad-schema-run-plugin" +homepage = "https://github.com/nomad-coe/nomad-schema-plugin-run.git" [project.optional-dependencies] dev = [ diff --git a/runschema/system.py b/runschema/system.py index 6c16607..ff18fc3 100644 --- a/runschema/system.py +++ b/runschema/system.py @@ -270,7 +270,7 @@ def to_ase(self, raise_exp: bool = False): return Atoms( symbols=self.labels, positions=self.positions.to(ureg.angstroms).m, - cell=self.lattice_vectors.to(ureg.angstroms).m, + cell=self.lattice_vectors.to(ureg.angstroms).m if self.lattice_vectors is not None else None, pbc=self.periodic ) except Exception as e: