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

for more information, see https://pre-commit.ci
deepmodeling · Dec 14, 2023 · 9076806 · 9076806
1 parent 78f4766
commit 9076806
Show file tree

Hide file tree

Showing 3 changed files with 9 additions and 3 deletions.
diff --git a/dpti/hti.py b/dpti/hti.py
@@ -423,7 +423,9 @@ def _gen_lammps_input(
     else:
         raise RuntimeError("unknow ensemble %s\n" % ens)
     ret += "# --------------------- INITIALIZE -----------------------\n"
-    ret += "velocity        all create ${TEMP} %d\n" % (np.random.default_rng().integers(1, 2**16))
+    ret += "velocity        all create ${TEMP} %d\n" % (
+        np.random.default_rng().integers(1, 2**16)
+    )
     if crystal == "frenkel":
         ret += "fix             fc all recenter INIT INIT INIT\n"
         ret += "fix             fm all momentum 1 linear 1 1 1\n"

diff --git a/dpti/hti_liq.py b/dpti/hti_liq.py
@@ -232,7 +232,9 @@ def _gen_lammps_input_ideal(
         raise RuntimeError("unknow ensemble %s\n" % ens)
     ret += "fix             mzero all momentum 10 linear 1 1 1\n"
     ret += "# --------------------- INITIALIZE -----------------------\n"
-    ret += "velocity        all create ${TEMP} %d\n" % (np.random.default_rng().integers(1, 2**16))
+    ret += "velocity        all create ${TEMP} %d\n" % (
+        np.random.default_rng().integers(1, 2**16)
+    )
     ret += "velocity        all zero linear\n"
     ret += "# --------------------- RUN ------------------------------\n"
     ret += "run             ${NSTEPS}\n"

diff --git a/dpti/hti_water.py b/dpti/hti_water.py
@@ -196,7 +196,9 @@ def _gen_lammps_input(
         raise RuntimeError("unknow ensemble %s\n" % ens)
     ret += "fix             mzero all momentum 10 linear 1 1 1\n"
     ret += "# --------------------- INITIALIZE -----------------------\n"
-    ret += "velocity        all create ${TEMP} %d\n" % (np.random.default_rng().integers(1, 2**16))
+    ret += "velocity        all create ${TEMP} %d\n" % (
+        np.random.default_rng().integers(1, 2**16)
+    )
     ret += "velocity        all zero linear\n"
     ret += "# --------------------- RUN ------------------------------\n"
     ret += "run             ${NSTEPS}\n"