Files
lammps/unittest/force-styles/tests/fix-timestep-wall_lj126_const.yaml
2021-02-26 23:16:51 -05:00

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5.0 KiB
YAML

---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:59 2021
epsilon: 2e-14
prerequisites: ! |
atom full
fix wall/lj126
pre_commands: ! |
boundary p f p
post_commands: ! |
fix move all nve
fix test solute wall/lj126 ylo EDGE 100.0 2.0 5.0 yhi EDGE 100.0 2.0 5.0
fix_modify test virial yes
input_file: in.fourmol
natoms: 29
run_stress: ! |2-
0.0000000000000000e+00 -3.4585143439781433e+01 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
global_scalar: -2.5475438051924
global_vector: ! |-
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run_pos: ! |2
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run_vel: ! |2
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...