atlas.workflows.dft.vasp package

Submodules

atlas.workflows.dft.vasp.aiida_run_vasp_dft_database module

Run VASP DFT calculations for a database of structures using the AiiDA-VASP.

atlas.workflows.dft.vasp.aiida_run_vasp_dft_database.load_config(config_file)

atlas.workflows.dft.vasp.aiida_run_vasp_dft_database.main()

atlas.workflows.dft.vasp.aiida_run_vasp_dft_database.parse_arguments()

Module contents

Utilities for VASP DFT calculations.