Skip to content

Commit ae80d2d

Browse files
committed
completed check_nelec() docs
1 parent eaf6db5 commit ae80d2d

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

qstack/spahm/guesses.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -203,7 +203,7 @@ def check_nelec(nelec, nao, full_shell_warning=1):
203203
Args:
204204
nelec (tuple or int): Number of electrons (alpha, beta) or total.
205205
nao (int): Number of atomic orbitals.
206-
206+
full_shell_warning (int): if < 1 supresses warnings about fully occupied shells
207207
Raises:
208208
RuntimeError: If there are more electrons than available orbitals.
209209

0 commit comments

Comments
 (0)