From a5f6a6e3b1b7fb367d167bff4afaab14a5636d80 Mon Sep 17 00:00:00 2001 From: LonelyProf Date: Wed, 13 Sep 2017 12:41:24 +0100 Subject: [PATCH] Added Python version of qmc_pi_lj. Extended documentation. --- python_examples/CONTENTS.md | 3 +-- python_examples/GUIDE.md | 2 +- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/python_examples/CONTENTS.md b/python_examples/CONTENTS.md index a608263..ae2ec72 100644 --- a/python_examples/CONTENTS.md +++ b/python_examples/CONTENTS.md @@ -199,8 +199,7 @@ A Fortran version is available. ### 13.1 Path-integral Monte Carlo [qmc_pi_sho.py](qmc_pi_sho.py) for the simple harmonic oscillator. -We do not provide a Python version of the Lennard-Jones example. -A Fortran version is available. +[qmc_pi_lj.py](qmc_pi_lj.py) and [qmc_pi_lj_module.py](qmc_pi_lj_module.py) for Lennard-Jones. ### 13.2 Quantum Monte Carlo using a diffusion equation [qmc_walk_sho.py](qmc_walk_sho.py). diff --git a/python_examples/GUIDE.md b/python_examples/GUIDE.md index dfe1bd1..a9a93bd 100644 --- a/python_examples/GUIDE.md +++ b/python_examples/GUIDE.md @@ -1075,7 +1075,7 @@ which is accumulated as a histogram of walker positions, should be obtained using the default input values, with an empty input record `{}`; these defaults include setting `et` initially to the exact ground state energy. -Other values such as `{et:0.6}` may be supplied through standard input in the usual way. +Other values such as `{"et":0.6}` may be supplied through standard input in the usual way. This type of simulation is sensitive to the initial value, and quite noisy: possible improvements are discussed in general terms in the text.