Source code for scm.input_classes.drivers.dftbplus

from __future__ import annotations
from pathlib import Path
from typing import Iterable, Literal, Sequence
from scm.pisa.block import DriverBlock,EngineBlock,FixedBlock,FreeBlock,InputBlock
from scm.pisa.key import BoolKey,FloatKey,FloatListKey,IntKey,IntListKey,MultipleChoiceKey,PathStringKey,StringKey,BoolType

[docs]class DFTBPlus(DriverBlock):
    r"""
    
    
    :ivar HSDInputTemplate: Path to the DFTB+ input file template in .hsd format. This is in principle like the normal dftb_in.hsd but contains some placeholders for things filled in by the AMS driver. See the examples for details.
    :vartype HSDInputTemplate: str | Path | StringKey
    """
    def __post_init__(self):
        self.HSDInputTemplate: str | Path | StringKey = PathStringKey(name='HSDInputTemplate', comment='Path to the DFTB+ input file template in .hsd format. This is in principle like the normal dftb_in.hsd but contains some placeholders for things filled in by the AMS driver. See the examples for details.', gui_name='Input file template:', ispath=True)