[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

Author: pre-commit-ci[bot]

dpti/hti_liq.py

@@ -27,6 +27,7 @@
 def make_iter_name(iter_index):
     return "task_hti." + ("%04d" % iter_index)
 
+
 def parse_lj_sigma_epsilon(ret, sparam):
     element_num = sparam.get("element_num", 1)
     sigma_key_index = filter(
@@ -37,7 +38,9 @@ def parse_lj_sigma_epsilon(ret, sparam):
     epsilon = sparam.get("epsilon", None)
     epsilon_0_0 = sparam.get("epsilon_0_0", None)
     if epsilon is not None:
-        assert epsilon_0_0 is None, "epsilon and epsilon_0_0 cannot be set at the same time"
+        assert (
+            epsilon_0_0 is None
+        ), "epsilon and epsilon_0_0 cannot be set at the same time"
         ret += f"variable        EPSILON equal {epsilon:f}\n"
         for i, j in sigma_key_index:
             ret += "pair_coeff      {} {} ${{EPSILON}} {:f} {:f}\n".format(
@@ -58,6 +61,7 @@ def parse_lj_sigma_epsilon(ret, sparam):
             )
     return ret
 
+
 def _ff_soft_on(lamb, sparam):
     nn = sparam["n"]
     alpha_lj = sparam["alpha_lj"]