system¶
- py4vasp.calculation.system¶
- class py4vasp.calculation._system.System(data_context, **kwargs)¶
The SYSTEM tag in the INCAR file is a title you choose for a VASP calculation.
- print()¶
Print a string representation of this instance.
- read(*args, **kwargs)¶
Convenient wrapper around to_dict. Check that function for examples and optional arguments.
- selections()¶
Returns possible alternatives for this particular quantity VASP can produce.
The returned dictionary contains a single item with the name of the quantity mapping to all possible selections. Each of these selection may be passed to other functions of this quantity to select which output of VASP is used.
- Returns:
The key indicates this quantity and the values possible choices for arguments to other functions of this quantity.
- Return type:
dict
- to_dict()¶
Returns a dictionary containing the system tag.