Skip to content

Commit 6cb2b05

Browse files
committed
style check issue
1 parent 1022ba1 commit 6cb2b05

File tree

1 file changed

+2
-2
lines changed

1 file changed

+2
-2
lines changed

pyscf/dft/radi.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -100,7 +100,7 @@ def gauss_chebyshev(n, *args, **kwargs):
100100
# Individually optimized Treutler/Ahlrichs radius parameter.
101101
# H - Kr are taken from the original paper JCP 102, 346 (1995)
102102
# Other elements are copied from Psi4 source code
103-
_treutler_ahlrichs_xi = [1.0,
103+
_treutler_ahlrichs_xi = [1.0, # Ghost
104104
0.8, 0.9, # 1s
105105
1.8, 1.4, 1.3, 1.1, 0.9, 0.9, 0.9, 0.9, # 2s2p
106106
1.4, 1.3, 1.3, 1.2, 1.1, 1.0, 1.0, 1.0, # 3s3p
@@ -118,7 +118,7 @@ def gauss_chebyshev(n, *args, **kwargs):
118118
2.500, 2.100, # 7s
119119
3.685, 1.500, 1.500, 1.500, 1.500, 1.500, 1.500,
120120
1.500, 1.500, 1.500, 1.500, 1.500, 1.500, 1.500, 1.500,
121-
]
121+
] # noqa: E124
122122

123123
def treutler_ahlrichs(n, chg, *args, **kwargs):
124124
'''

0 commit comments

Comments
 (0)