update unit test for correct fix wall/morse
This commit is contained in:
Axel Kohlmeyer
@ -1,6 +1,6 @@
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---
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lammps_version: 17 Feb 2022
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date_generated: Fri Mar 18 22:18:01 2022
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lammps_version: 8 Feb 2023
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date_generated: Thu Feb 23 15:26:55 2023
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epsilon: 4e-14
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skip_tests:
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prerequisites: ! |
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@ -15,68 +15,68 @@ post_commands: ! |
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input_file: in.fourmol
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natoms: 29
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run_stress: ! |2-
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0.0000000000000000e+00 -1.6447328969000660e+03 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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global_scalar: -715.4154062573953
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0.0000000000000000e+00 -7.4088044731917480e+03 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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global_scalar: -860.4604684981359
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global_vector: ! |-
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2 0 -362.76807567062644
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2 0 -1661.6917920590186
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run_pos: ! |2
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29 -1.3126000191406215e+00 -3.5962518039692939e+00 2.2746342468831999e+00
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run_vel: ! |2
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29 6.4110630514945563e-04 3.1273432277213126e-03 3.7253671297833627e-03
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...
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