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a few formatting fixes for pair style python

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Axel Kohlmeyer
2017-05-18 18:34:03 -04:00
parent 0f88348917
commit 8751850eca
1 changed files with 3 additions and 3 deletions
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6
doc/src/pair_python.txt
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@ -107,15 +107,15 @@ class LJCutMelt(LAMMPSPairPotential):
# set coeffs: 48*eps*sig**12, 24*eps*sig**6,
# 4*eps*sig**12, 4*eps*sig**6
self.units = 'lj'
self.coeff = {'lj' : {'lj' : (48.0,24.0,4.0,4.0)}}
self.coeff = \{'lj' : \{'lj' : (48.0,24.0,4.0,4.0)\}\}
:pre
The class also has to provide two methods for the computation of the
potential energy and forces, which have be named {compute_force},
and {compute_energy}, which both take 3 numerical arguments:
rsq = the square of the distance between a pair of atoms (float) :li
itype = the (numerical) type of the first atom :li
rsq = the square of the distance between a pair of atoms (float) :l
itype = the (numerical) type of the first atom :l
jtype = the (numerical) type of the second atom :ul
This functions need to compute the force and the energy, respectively,