add message quit protocol, to allow for non-quantum MD steps
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@ -32,3 +32,4 @@ fix_modify 2 energy yes
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thermo 1
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run 3
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message quit
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@ -39,3 +39,5 @@ fix_modify 2 energy yes
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thermo 10
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run 50
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message quit
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@ -40,3 +40,5 @@ thermo_style custom step temp epair etotal press xy
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thermo 1000
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run 50000
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message quit
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