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add tests for fix/csvr and fix/csld

This commit is contained in:
Axel Kohlmeyer 2020-08-09 14:56:43 -04:00
parent bbcae3b20c
commit f1da2b2f5f
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2 changed files with 150 additions and 0 deletions
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75
unittest/force-styles/tests/fix-timestep-temp_csld.yaml Normal file
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---
lammps_version: 21 Jul 2020
date_generated: Sun Aug 9 14:54:04 202
epsilon: 1e-14
prerequisites: ! |
atom full
fix temp/csld
pre_commands: ! ""
post_commands: ! |
fix all solute nve
fix test solute temp/csld 50.0 ${t_target} 1.0 62823
input_file: in.fourmol
natoms: 29
global_scalar: 150.876840894722
run_pos: ! |2
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...

75
unittest/force-styles/tests/fix-timestep-temp_csvr.yaml Normal file
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@ -0,0 +1,75 @@
---
lammps_version: 21 Jul 2020
date_generated: Sun Aug 9 14:53:58 202
epsilon: 1e-14
prerequisites: ! |
atom full
fix temp/csvr
pre_commands: ! ""
post_commands: ! |
fix all solute nve
fix test solute temp/csvr 50.0 ${t_target} 1.0 82573
input_file: in.fourmol
natoms: 29
global_scalar: 138.691817964765
run_pos: ! |2
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...