PAOFLOW.gen

Input and driver-script generators for PAOFLOW workflows.

Two command-line generators are provided:

• PAOFLOW.gen.aflow_qe.main() (console script paoflow-gen-qe): build a Quantum ESPRESSO scf input from a materials-database entry (AFLOW or C2DB; the database is auto-detected from the identifier).

• PAOFLOW.gen.paoflow_driver.main() (console script paoflow-gen): interactively generate a PAOFLOW main.py driver script (and an optional companion plot.py) from the output of a Quantum ESPRESSO run.

Submodules

• PAOFLOW.gen.aflow_qe
• PAOFLOW.gen.fermi_plotter
• PAOFLOW.gen.paoflow_driver
• PAOFLOW.gen.qe_input