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Added Python version of qmc_pi_lj. Extended documentation.
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Michael-P-Allen committed Sep 13, 2017
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3 changes: 1 addition & 2 deletions python_examples/CONTENTS.md
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Expand Up @@ -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).
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2 changes: 1 addition & 1 deletion python_examples/GUIDE.md
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Expand Up @@ -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.
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