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Update input.yaml
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srmnitc authored Sep 7, 2023
1 parent 60b06ae commit ccda67b
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Expand Up @@ -29,6 +29,7 @@ md:
timestep: 0.001
thermostat_damping: 0.1
barostat_damping: 0.1
equilibration_control: nose_hoover

queue:
scheduler: local
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