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module Potential ! Contains parameters of the Lennard-Jones potential double precision, parameter :: Rcutoff = 2.5d0 ! cutoff distance double precision, parameter :: phicutoff = & ! potential at cutoff 4.d0/(Rcutoff**12) - 4.d0/(Rcutoff**6) end module Potential module Statistics ! Contains statistical quantities accumulated during the run. ! All quantities are resetted to zero. double precision :: temperature_sum = 0.d0 double precision :: ene_kin_sum = 0.d0 double precision :: ene_pot_sum = 0.d0 double precision :: pressure_sum = 0.d0 end module Statistics ÇëÎʳÌÐòÖеÄd0ºÍcutoff distanceÊÇʲôÒâ˼£¿Ð»Ð»£¡£¡ [ Last edited by woshilsh on 2008-11-30 at 11:17 ] |
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2Â¥2008-11-30 11:18:06
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kuhailangyu(½ð±Ò+1,VIP+0):thanks~~!
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4Â¥2008-11-30 12:56:30
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5Â¥2008-12-01 20:38:17
jianchaoyv
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6Â¥2008-12-02 18:21:18
jianchaoyv
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7Â¥2008-12-02 18:22:28














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