Maple-Workbooks-for-NEGF-Calculations

These are Maple workbooks that use the Hoy group's NEGF-RDM code and the QuantumChemistry Toolbox from Maple to perform NEGF calculations.

We currently only have a public script for running the NEGF-RDM method. Expected future scripts include:

1. NEGF-DFT
2. NEGF-HF

To run these scripts, you will need:

1. Maple 2020 or later
2. QuantumChemistry Toolbox for Maple (2020 or later)
3. An NEGF-RDM executable (Compiled from source code)

Note: The NEGF-RDM respository is not currently available. It is expected to be publicly available by Feburary 2021. Check the HoyLab-Rowan Github page for updates.