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1. lammps_helper lammps_helper Public

   Python code to help with input/output from the molecular dynamics package LAMMPS.

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2. nmse_utils nmse_utils Public

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3. perovskite_intercalation perovskite_intercalation Public

   Build intercalated 2D perovskite crystal models for computational materials science research.

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4. materials_visualization materials_visualization Public

   helper functions to visualize atomic models in jupyter

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5. gpaw_helper gpaw_helper Public

   An interface to run GPAW calculations and save results in a database. Also some helper functions for analysis.

6. superlattice_structure_analysis superlattice_structure_analysis Public

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