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README.md

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@@ -24,6 +24,20 @@ The authors and publishers do not recommend use of this data for any purpose.
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It is made freely available, solely to clarify points made in the text.
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When using or citing the data, you should not imply endorsement by the authors or publishers.
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## Pair distribution function (pair_distribution)
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Here we provide data suitable to test the programs `pair_distribution.f90` and `pair_distribution.py`,
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which are available in the [Examples repository](https://github.com/Allen-Tildesley/examples).
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The file `pair_distribution_data.zip` contains
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a set of 500 configurations
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of _N_=256 Lennard-Jones atoms,
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cut (but not shifted) at _R_<sub>c</sub>=2.5&sigma;,
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at the usual state point &rho;=0.75, _T_=1.0.
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The interval between configurations was 100 MC sweeps.
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For more details about the programs,
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and a plot of the results from this data set
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refer to the [Fortran GUIDE](https://github.com/Allen-Tildesley/examples/blob/master/GUIDE.md).
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or the [Python GUIDE](https://github.com/Allen-Tildesley/examples/blob/master/python_examples/GUIDE.md).
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## Interface pair correlation function (grint)
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Here we provide data suitable to test the program `grint.f90`,
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which is available in the [Examples repository](https://github.com/Allen-Tildesley/examples).

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