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add tests for momentum fixes and nve/limit

This commit is contained in:
Axel Kohlmeyer 2020-08-19 15:08:46 -04:00
parent b1fbee9bd0
commit 20c24b1f3b
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3 changed files with 223 additions and 0 deletions
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74
unittest/force-styles/tests/fix-timestep-momentum.yaml Normal file
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@ -0,0 +1,74 @@
---
lammps_version: 21 Jul 2020
date_generated: Wed Aug 19 14:56:05 202
epsilon: 1e-14
prerequisites: ! |
atom full
fix momentum
pre_commands: ! ""
post_commands: ! |
fix move all nve
fix test solute momentum 4 linear 1 1 1 angular rescale
input_file: in.fourmol
natoms: 29
run_pos: ! |2
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...

75
unittest/force-styles/tests/fix-timestep-momentum_chunk.yaml Normal file
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@ -0,0 +1,75 @@
---
lammps_version: 21 Jul 2020
date_generated: Wed Aug 19 15:06:58 202
epsilon: 1e-14
prerequisites: ! |
atom full
fix momentum/chunk
pre_commands: ! ""
post_commands: ! |
fix move all nve
compute chunk all chunk/atom molecule
fix test solvent momentum/chunk 4 chunk linear 1 1 1 angular rescale
input_file: in.fourmol
natoms: 29
run_pos: ! |2
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run_vel: ! |2
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...

74
unittest/force-styles/tests/fix-timestep-nve_limit.yaml Normal file
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@ -0,0 +1,74 @@
---
lammps_version: 21 Jul 2020
date_generated: Wed Aug 19 14:50:41 202
epsilon: 1e-14
prerequisites: ! |
atom full
fix nve/limit
pre_commands: ! ""
post_commands: ! |
fix test solute nve/limit 0.01
input_file: in.fourmol
natoms: 29
global_scalar: 28
run_pos: ! |2
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run_vel: ! |2
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...