Commit 20f374ca authored by oekosheri's avatar oekosheri Committed by Sherri Hadian
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Update paper.md

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GBs are geometrical entities with a large parameter space that has been well formulated within a coincident site lattice (CSL) mathematical framework. ``GB_code`` [@GB_code] uses the CSL construction to generate GB atomic structures (currently for cubic materials) systematically and provides input atomic structures for atomistic calculations (e.g. ``LAMMPS``[@LAMMPS]). These atomistic codes can further calculate different properties of the GBs. In addition to providing the input structures, the ``csl_generator.py`` script and
the attached Jupyter notebooks have extra functionality to show how the CSL properties can be used to locate, classify and categorize 
different GBs and to extract detailed information about them; which causes it to be a good interactive toolbox to learn 
about grain boundaries and versatile for running high-throughput calculations. 
about grain boundaries and versatile for running high-throughput calculations. The target audience are students/scientists of materials science and physics at any level of familiraity with the topic of GBs. 

``GB_code`` is mainly designed to be run in Linux terminal as it is documented in detail in the README file of the repository
but it can also be accessed via the attached Jupyter notebooks. The code consists of two main scripts, ``csl_generator.py`` and ``gb_generator.py``, that should be used in this order to produce the final GB structures. The attached Jupyter notebooks, ``Usage_of_GB_code.ipynb`` and ``Dichromatic_pattern_CSL_.ipynb``, can access the two scripts as modules, the former addresses the