atomate2.vasp.schemas.calc_types.utils#
Module to define various calculation types as Enums for VASP.
Functions
Determine the calc type. |
|
Determine run_type from the VASP parameters dict. |
|
Determine the task from vasp inputs. |
User Guide
Reference
Developer Guide
About
Module to define various calculation types as Enums for VASP.
Functions
Determine the calc type. |
|
Determine run_type from the VASP parameters dict. |
|
Determine the task from vasp inputs. |