Download PyPES Library Manual

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Introduction
For those interested in an overview of what PyPES library is about and how it works, please refer
to the original publication. [1] A pre-print version is included in the distribution documentation
for convenience, together with a .csv file containing our VCI results for all force-fields.
This manual contains a list of all input commands, along with a list of implemented force-fields,
and a few small tutorials on how to utilise different features of the program. The tutorials are also
included in the PyPES release within the tutes/ directory.
The code is released for everyones use, freely. You are welcome to use the code as you please, and
incorporate parts of it into your own programs. However, we do ask that you give credit where
it’s due and please cite the original paper if you find this work useful in your research. If you
find any bugs in our implementation, please send the input file with description of the error to
[email protected].
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