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add tests with region sphere

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alphataubio
2024-10-09 18:06:24 -04:00
parent 3b60ae43b3
commit badb3eae5f
4 changed files with 160 additions and 0 deletions
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0
unittest/force-styles/tests/fix-timestep-efield_region.yaml → unittest/force-styles/tests/fix-timestep-efield_region_block.yaml
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82
unittest/force-styles/tests/fix-timestep-efield_region_sphere.yaml Normal file
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@ -0,0 +1,82 @@
---
lammps_version: 29 Aug 2024
date_generated: Wed Oct 9 18:02:13 2024
epsilon: 2e-13
skip_tests:
prerequisites: ! |
atom full
fix efield
pre_commands: ! ""
post_commands: ! |
region 1 sphere 0 0 0 1
fix move all nve
fix test solute efield 0.1 0.1 0.1 region 1
fix_modify test virial yes
input_file: in.fourmol
natoms: 29
run_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
global_scalar: 0
global_vector: ! |-
3 0 0 0
run_pos: ! |2
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run_vel: ! |2
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29 6.4110631534402261e-04 3.1273432719593807e-03 3.7253671105656745e-03
...

0
unittest/force-styles/tests/fix-timestep-setforce_region.yaml → unittest/force-styles/tests/fix-timestep-setforce_region_block.yaml
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unittest/force-styles/tests/fix-timestep-setforce_region_sphere.yaml Normal file
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@ -0,0 +1,78 @@
---
lammps_version: 29 Aug 2024
date_generated: Wed Oct 9 17:59:56 2024
epsilon: 5e-12
skip_tests:
prerequisites: ! |
atom full
fix setforce
pre_commands: ! ""
post_commands: ! |
region 1 sphere 0 0 0 1
fix move all nve
fix test solute setforce 0.0 0.0 0.0 region 1
input_file: in.fourmol
natoms: 29
global_vector: ! |-
3 0 0 0
run_pos: ! |2
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2 3.1004029573899528e-01 2.9612354631094391e+00 -8.5466363037021464e-01
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run_vel: ! |2
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...