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Updated run_tests.py for testing inplace input scripts

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Trung Nguyen
2023-12-10 16:56:47 -06:00
parent bcd0eac78a
commit fbbdd5bcad
3 changed files with 64 additions and 14 deletions
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2
examples/melt/in.melt
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@ -30,4 +30,6 @@ fix 1 all nve
#dump_modify 3 pad 3
thermo 50
#REG:ADD thermo 10
#REG:ADD thermo_style yaml
run 250

30
examples/melt/thermo.in.melt.yaml Normal file
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@ -0,0 +1,30 @@
---
keywords: ['Step', 'Temp', 'KinEng', 'PotEng', 'E_bond', 'E_angle', 'E_dihed', 'E_impro', 'E_vdwl', 'E_coul', 'E_long', 'Press', ]
data:
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...