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| | | # Pressure calculations |
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| | | # (pswitch=1: calc. p*dV energy contribution) |
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| | | pswitch = 1 |
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| | | pswitch = 0 |
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| | | # pressure difference: p_inside - p_outside (in units kT/l_min^3): |
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| | | pressure=1.0 |
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| | | pressure=0.0 |
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| | | |
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| | | #Constant volume constraint (0 disable constant volume, 1 enable) |
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| | | constvolswitch=0 |
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| | | ####### Program Control ############ |
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| | | #how many MC sweeps between subsequent records of states to disk |
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| | | mcsweeps=2000 |
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| | | mcsweeps=200 |
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| | | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
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| | | inititer=0 |
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| | | #how many records do you want on the disk iteration are there in a run? |
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