From 19f6c6f7b5b4ab285d2ccb33fbae41346e413703 Mon Sep 17 00:00:00 2001 From: kmlefran Date: Mon, 4 Dec 2023 12:25:45 -0500 Subject: [PATCH] Update fragment label type --- aiida_aimall/__init__.py | 2 +- aiida_aimall/controllers.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/aiida_aimall/__init__.py b/aiida_aimall/__init__.py index 4c2b63e..328085a 100644 --- a/aiida_aimall/__init__.py +++ b/aiida_aimall/__init__.py @@ -4,4 +4,4 @@ A plugin to interface AIMAll with AiiDA """ -__version__ = "0.2.7" +__version__ = "0.2.8" diff --git a/aiida_aimall/controllers.py b/aiida_aimall/controllers.py index 1598d82..52c8551 100644 --- a/aiida_aimall/controllers.py +++ b/aiida_aimall/controllers.py @@ -211,7 +211,7 @@ def get_inputs_and_processclass_from_extras(self, extras_values): code = orm.load_code(self.code_label) structure = self.get_parent_node_from_extras(extras_values) inputs = { - "fragment_label": extras_values[0], + "fragment_label": Str(extras_values[0]), "code": code, "parameters": Dict(self.g16_sp_params), "structure_str": structure,