piwheels

pykinml

Neural Net Potential Energy Surface

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install pykinml

Dependencies

• aevmod
• numpy
• h5py
• pandas
• ase

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
1.1.2	2024-05-28
pykinml-1.1.2-py3-none-any.whl (54 KB)
1.0.2	2024-05-28
pykinml-1.0.2-py3-none-any.whl (72 KB)
1.0.1	2024-05-28
pykinml-1.0.1-py3-none-any.whl (65 KB)

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