From 2a4194f48ca7a40adc16f567081206c633bf45f6 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 8 Aug 2024 21:48:19 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- grits/coarsegrain.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/grits/coarsegrain.py b/grits/coarsegrain.py index 2265b28..66b18b9 100644 --- a/grits/coarsegrain.py +++ b/grits/coarsegrain.py @@ -747,7 +747,11 @@ def save(self, cg_gsdfile, start=0, stop=None, stride=1): ] # do the force calculation here - traj_lj_forces.append(np.add.reduce(s.log['particles/md/pair/LJ/forces'][inds])) + traj_lj_forces.append( + np.add.reduce( + s.log["particles/md/pair/LJ/forces"][inds] + ) + ) # do the velocity calculation here velocity += [ np.mean(s.particles.velocity[x], axis=0) for x in inds