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add unit tests for fix nvt/sllod

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This commit is contained in:
Axel Kohlmeyer
2023-01-01 12:56:44 -05:00
parent 8f541488fb
commit b25eeb3b26
2 changed files with 160 additions and 0 deletions
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80
unittest/force-styles/tests/fix-timestep-nvt-psllod.yaml Normal file
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---
lammps_version: 22 Dec 2022
tags: generated
date_generated: Sun Jan 1 12:26:05 2023
epsilon: 5e-12
skip_tests:
prerequisites: ! |
atom full
fix nvt/sllod
pre_commands: ! ""
post_commands: ! |
change_box all triclinic
fix all all deform 2 xy final 2.0 remap v
fix test all nvt/sllod temp 50.0 ${t_target} 1.0 psllod yes
input_file: in.fourmol
natoms: 29
global_scalar: 9642093.286379034
global_vector: ! |-
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run_pos: ! |2
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...

80
unittest/force-styles/tests/fix-timestep-nvt-sllod.yaml Normal file
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@ -0,0 +1,80 @@
---
lammps_version: 22 Dec 2022
tags: generated
date_generated: Sun Jan 1 12:26:00 2023
epsilon: 5e-12
skip_tests:
prerequisites: ! |
atom full
fix nvt/sllod
pre_commands: ! ""
post_commands: ! |
change_box all triclinic
fix all all deform 2 xy final 2.0 remap v
fix test all nvt/sllod temp 50.0 ${t_target} 1.0
input_file: in.fourmol
natoms: 29
global_scalar: 9642093.286379034
global_vector: ! |-
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run_pos: ! |2
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...