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Fix in keyword
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1 changed files with 1 additions and 1 deletions
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@ -8,7 +8,7 @@ md
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cutoff 1.2
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leapfrog
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isotherm 298.16 trelax 0.1 0.1
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isobar 1.025e5 trelax 0.4 compres 4.53e-10
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isobar 1.025e5 trelax 0.4 compress 4.53e-10
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print step 10 stat 100 extra topol
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update pairs 1 center 1 long 1 rdf 0
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record rest 0
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