From 8751850ecaa8ddfbd87d5ccbd63530e29c551b65 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 18 May 2017 18:34:03 -0400 Subject: [PATCH] a few formatting fixes for pair style python --- doc/src/pair_python.txt | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/src/pair_python.txt b/doc/src/pair_python.txt index af6d08cb56..557db37bbb 100644 --- a/doc/src/pair_python.txt +++ b/doc/src/pair_python.txt @@ -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,