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1. BandU BandU Public

   A package that performs a principal component inspired analysis on the Bloch wavefunctions of periodic material to provide a real space visualization of the states that significant contribute to th…

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2. AutoDFTCP AutoDFTCP Public

   Workflow for automatically queuing and managing density functional theory - chemical pressure calculations.

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3. FAST-MD-LAMMPS FAST-MD-LAMMPS Public

   A package that implements the FAST principle using the molecular dynamics software LAMMPS.

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4. PhRAMPT PhRAMPT Public

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5. SSMCI-RDF SSMCI-RDF Public

   Computes spatially discretized RDFs to identify nucleation events.

   Jupyter Notebook