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[求助]
MOLDY输入文件求解释
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我是用lammps模拟一篇文章所做的工作，然后我向作者要了输入文件，可是作者用的是MOLDY软件，求各位大神帮我看看作者输入文件表达意思？ sys-spec-file=FeLBE.in # Di update 6 agus 2011 artoto arkundato title=--JANGAN DI MATIKAN >>>>>: Mol Dynamics of Fe in PbBi -- time-unit=1.0181e-14 #density=7.85 lattice-start=1 const-temp=1 temperature=1023 const-pressure = 4 pressure = 0 #text-mode-save=1 save-file=FeLBEOnew.save #restart-file=FLBEO2523K.restart backup-file=FeLBEOnew.back dump-file=FeLBEOnew.dump%d begin-dump=60000 dump-level=3 dump-interval=1000 scale-options=2 #scale-interval=5 #scale-end=2500 #steps=84000 nsteps = 160000 print-interval=1000 roll-interval=1000 begin-average=59000 average-interval=1000 step=0.0001 subcell=2 #strict-cutoff=1 cutoff=8.5125 #2.5 * sigma begin-rdf=60000 rdf-interval=50 #rdf-out=15000 end |
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