From 995ccd494e03a5cbe81928746048bb347e0b3d68 Mon Sep 17 00:00:00 2001 From: Gabriel Alkuino <107645552+gsalkuin@users.noreply.github.com> Date: Tue, 17 Sep 2024 10:46:17 -0400 Subject: [PATCH] Update fix-timestep-epot_lepton_region.yaml --- .../force-styles/tests/fix-timestep-epot_lepton_region.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/unittest/force-styles/tests/fix-timestep-epot_lepton_region.yaml b/unittest/force-styles/tests/fix-timestep-epot_lepton_region.yaml index 2da5b66e2e..5d7c95a0fd 100644 --- a/unittest/force-styles/tests/fix-timestep-epot_lepton_region.yaml +++ b/unittest/force-styles/tests/fix-timestep-epot_lepton_region.yaml @@ -1,6 +1,6 @@ --- lammps_version: 27 Jun 2024 -date_generated: Thu Jul 25 05:23:14 2024 +date_generated: Tue Sep 17 08:42:57 2024 epsilon: 2e-13 skip_tests: prerequisites: ! | @@ -13,7 +13,7 @@ post_commands: ! | fix test solute epot/lepton "A*exp(-B*r)/r; r=abs(sqrt(x^2+y^2+z^2)); A=1; B=1" region half input_file: in.fourmol natoms: 29 -global_scalar: 23.362354499296277 +global_scalar: 1.6224257709052041 run_pos: ! |2 1 -2.7045550227503484e-01 2.4912161552650542e+00 -1.6695870672991683e-01 2 3.1004259198805995e-01 2.9612627263370541e+00 -8.5467109039916112e-01