Updated doc page with delta info and simplified example

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Sievers
2020-03-04 19:08:57 -07:00
parent 0723bf3db7
commit 968f44601c
4 changed files with 27 additions and 911 deletions

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# Numerical difference calculation of error in forces
units metal
atom_style full
atom_style atomic
boundary p p p
read_data argon.lmp
include ff-argon.lmp
lattice fcc 5.358000
region box block 0 6 0 6 0 6
create_box 1 box
create_atoms 1box
mass 1 39.903
velocity all create 10 2357 mom yes dist gaussian
pair_style lj/cubic
pair_coeff * * 0.0102701 3.42
neighbor 1 bin
timestep 0.001