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41 lines
1.1 KiB
Markdown
41 lines
1.1 KiB
Markdown
# NQR Bloch Simulator for Python
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This is a Python implementation of an NQR Bloch Simulator. It can be used for simulating NQR spectroscopy signals in the time domain. The simulator is based on the paper [1].
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Right now the implementation is in a early stage and has not yet been tested and verified.
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## Installation
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Create a virtual environment and activate it:
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```
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python -m venv venv
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source venv/bin/activate
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```
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To install the package, run the following command in the root directory of the project:
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```
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pip install .
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```
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Alternatively you can install the package via PyPI:
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```
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pip install nqr-blochsimulator
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```
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The package can then be tested by running
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```
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python -m unittest tests/simulation.py
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```
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This will run a simulation of a simple FID for BiPh3 and plot the result in time domain.
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## References
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The simulator is based on the paper:
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[1] [C. Graf, A. Rund, C.S. Aigner, R. Stollberger, Accuracy and Performance Analysis for Bloch and Bloch-McConnell simulation methods Journal of Magnetic Resonance 329(3):107011 doi: 10.1016/j.jmr.2021.107011](https://doi.org/10.1016/j.jmr.2021.107011) |