From 2c460fecab430d8492581445b76c126f68b2a7d6 Mon Sep 17 00:00:00 2001 From: Aleksander Durumeric Date: Tue, 16 Apr 2024 07:09:16 -0500 Subject: [PATCH] Ran black. --- src/aggforce/qp/jgauss.py | 2 +- tests/test_gaussmap.py | 2 -- 2 files changed, 1 insertion(+), 3 deletions(-) diff --git a/src/aggforce/qp/jgauss.py b/src/aggforce/qp/jgauss.py index a22122f..438e239 100644 --- a/src/aggforce/qp/jgauss.py +++ b/src/aggforce/qp/jgauss.py @@ -593,7 +593,7 @@ def stagedjforcegauss_map( # contributions. # we check how big the noise contributions are - remaining_force_residual = np.mean(pmapped_tmap(pmapped_traj).forces**2) + remaining_force_residual = np.mean(pmapped_tmap(pmapped_traj).forces ** 2) if remaining_force_residual > contribution_tolerance: warnings.warn( "Unable to remove all noise contributions in forces. Remaining " diff --git a/tests/test_gaussmap.py b/tests/test_gaussmap.py index d7097eb..4cd12fc 100644 --- a/tests/test_gaussmap.py +++ b/tests/test_gaussmap.py @@ -480,5 +480,3 @@ def test_cln025_sepforcegauss_mscg_ip(seed: int = rseed) -> None: ] ) assert np.allclose(KNOWN_PROJS, np.array(gauss_projs), atol=2e-1) - -