From 4ba304b1645d2714956feff5b38615e4daf77ae3 Mon Sep 17 00:00:00 2001 From: matthewkuner Date: Tue, 7 Nov 2023 16:53:44 -0800 Subject: [PATCH] misc small changes --- pymatgen/io/validation/validation.py | 1 - tests/test_validation.py | 3 +++ 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/pymatgen/io/validation/validation.py b/pymatgen/io/validation/validation.py index 9eb1ac2..8012975 100644 --- a/pymatgen/io/validation/validation.py +++ b/pymatgen/io/validation/validation.py @@ -157,7 +157,6 @@ def from_task_doc( "NO MATCHING MP INPUT SET --> no matching MP input set was found. If you believe this to be a mistake, please create a GitHub issue." ) valid_input_set = None - print(f"Error while finding MP input set: {e}.") if parameters == {} or parameters is None: diff --git a/tests/test_validation.py b/tests/test_validation.py index 43671ec..5c693e9 100644 --- a/tests/test_validation.py +++ b/tests/test_validation.py @@ -6,6 +6,9 @@ from pymatgen.core.structure import Structure +# TODO: add in tests for POTCAR validation +# TODO: add in tests for POTCAR validation +# TODO: add in tests for POTCAR validation ### TODO: add tests for many other MP input sets (e.g. MPNSCFSet, MPNMRSet, MPScanRelaxSet, Hybrid sets, etc.) ### TODO: add check for an MP input set that uses an IBRION other than [-1, 1, 2] ### TODO: add in energy-based EDIFFG check