From 73ff61a6e8f948df57d968dbd56abac7ee285382 Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Tue, 9 Jul 2024 18:56:02 +0200 Subject: [PATCH] Add support .fcidump extension --- iodata/formats/fcidump.py | 2 +- iodata/test/test_fcidump.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/iodata/formats/fcidump.py b/iodata/formats/fcidump.py index eb7abe4a..70737419 100644 --- a/iodata/formats/fcidump.py +++ b/iodata/formats/fcidump.py @@ -40,7 +40,7 @@ __all__ = () -PATTERNS = ["*FCIDUMP*"] +PATTERNS = ["*FCIDUMP*", "*.fcidump"] LOAD_ONE_NOTES = """ diff --git a/iodata/test/test_fcidump.py b/iodata/test/test_fcidump.py index 7971f741..46a58d33 100644 --- a/iodata/test/test_fcidump.py +++ b/iodata/test/test_fcidump.py @@ -93,7 +93,7 @@ def test_dump_load_fcidimp_consistency_ao(tmpdir): mol0.two_ints = {"two_mo": np.load(str(fn))} # Dump to a file and load it again - fn_tmp = os.path.join(tmpdir, "FCIDUMP") + fn_tmp = os.path.join(tmpdir, "tmp.fcidump") dump_one(mol0, fn_tmp) mol1 = load_one(fn_tmp)