GitHub - KIMYujin96/iprPy-demos

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Name		Name	Last commit message	Last commit date
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local_db/potential_LAMMPS		local_db/potential_LAMMPS
.gitignore		.gitignore
README.txt		README.txt
Setup check.ipynb		Setup check.ipynb
atomman demonstration - periodic array of dislocations.ipynb		atomman demonstration - periodic array of dislocations.ipynb
iprPy calc demo from parameters.ipynb		iprPy calc demo from parameters.ipynb
iprPy calc demo from script.ipynb		iprPy calc demo from script.ipynb

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To get started:

1. Install and compile LAMMPS, if needed. Optionally, install MPI to run LAMMPS in parallel.

2. Install Python, if needed.  Anaconda packages are preferred, but not required (https://www.anaconda.com/products/individual)

3. Install packages using pip and/or conda. atomman can be installed using conda from the conda-forge channel.  iprPy is curretly limited to just pip install.

4. Start jupyter server "jupyter notebook", and open the Notebook files.