Merge pull request #324 from susilehtola/dyall

Include Dyall's basis sets
MolSSI-BSE · Nov 26, 2024 · 8786e0e · 8786e0e
2 parents 2f095f4 + 18ff306
commit 8786e0e
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diff --git a/basis_set_exchange/curate/add_basis.py b/basis_set_exchange/curate/add_basis.py
@@ -260,7 +260,7 @@ def add_basis_from_dict(bs_data,
             # and that there are no duplicates
             for el in elements:
                 if el not in orig_elements:
-                    raise RuntimeError("Element {} not found in file {}".format(el, bs_file))
+                    raise RuntimeError("Element {} not found in given dictionary".format(el))
                 if el in done_elements:
                     raise RuntimeError("Duplicate element {} in reference string {}".format(el, k))