fix up some escaped '*' characters in "code-block" sections that do not need to be escaped
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@ -113,8 +113,8 @@ which the parameters epsilon and sigma are both 1.0:
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class LJCutMelt(LAMMPSPairPotential):
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def __init__(self):
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super(LJCutMelt,self).__init__()
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# set coeffs: 48\*eps\*sig\*\*12, 24\*eps\*sig\*\*6,
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# 4\*eps\*sig\*\*12, 4\*eps\*sig\*\*6
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# set coeffs: 48*eps*sig**12, 24*eps*sig**6,
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# 4*eps*sig**12, 4*eps*sig**6
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self.units = 'lj'
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self.coeff = {'lj' : {'lj' : (48.0,24.0,4.0,4.0)}}
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@ -137,18 +137,18 @@ the *LJCutMelt* example, here are the two functions:
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def compute_force(self,rsq,itype,jtype):
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coeff = self.coeff[self.pmap[itype]][self.pmap[jtype]]
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r2inv = 1.0/rsq
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r6inv = r2inv\*r2inv\*r2inv
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r6inv = r2inv*r2inv*r2inv
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lj1 = coeff[0]
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lj2 = coeff[1]
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return (r6inv \* (lj1\*r6inv - lj2))\*r2inv
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return (r6inv * (lj1*r6inv - lj2))*r2inv
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def compute_energy(self,rsq,itype,jtype):
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coeff = self.coeff[self.pmap[itype]][self.pmap[jtype]]
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r2inv = 1.0/rsq
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r6inv = r2inv\*r2inv\*r2inv
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r6inv = r2inv*r2inv*r2inv
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lj3 = coeff[2]
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lj4 = coeff[3]
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return (r6inv \* (lj3\*r6inv - lj4))
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return (r6inv * (lj3*r6inv - lj4))
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.. note::
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