add link to PySCF issue in comment

qiskit-community · Jan 2, 2025 · 2347b3c · 2347b3c
1 parent 79781d4
commit 2347b3c
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/python/ffsim/molecular_data.py b/python/ffsim/molecular_data.py
@@ -144,6 +144,7 @@ def scf(self) -> pyscf.scf.hf.SCF:
         fp = tempfile.NamedTemporaryFile()
         self.to_fcidump(fp.name)
         # HACK without the following line, PySCF computations fail with a KeyError
+        # See https://github.com/pyscf/pyscf/issues/2586
         _remove_sym_from_fcidump(fp.name)
         return pyscf.tools.fcidump.to_scf(fp.name)