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Update fix-timestep-epot_lepton_region.yaml

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This commit is contained in:
Gabriel Alkuino
2024-09-17 10:46:17 -04:00
committed by GitHub
parent d95d65bb69
commit 995ccd494e
1 changed files with 2 additions and 2 deletions
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4
unittest/force-styles/tests/fix-timestep-epot_lepton_region.yaml
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@ -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