struct MM::LennardJones

Defined in:

mm/params.cr

Constructors

Instance Method Summary

Constructor Detail

def self.new(epsilon : Float64, rmin : Float64, penalty : Float64 = 0.0, comment : String | Nil = nil) #

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Instance Method Detail

def clone #

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def comment : String | Nil #

def copy_with(epsilon _epsilon = @epsilon, rmin _rmin = @rmin, penalty _penalty = @penalty, comment _comment = @comment) #

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def epsilon : Float64 #

def penalty : Float64 #

def rmin : Float64 #