A package that help analyze PQ energy and parameter output.
Project description
PQEnalyzer
Energy and Parameter Analyzer for Molecular Dynamic Trajectories - PQ
Installation
Install with pip:
pip install PQEnalyzer
Usage
Open the GUI by calling the PQEnalyzer via the CLI and supplying a .en file from the PQ trajectory:
pqenalyzer pq_output.en
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