Source code for scm.input_classes.drivers.amsinteractive

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 AMSInteractive(DriverBlock):
    r"""
    
    
    :ivar Stop: Makes the AMS driver stop execution in an ordered manner at the next opportunity. This will not interrupt the execution in the middle of the numerical calculation of a PES point property (e.g. a Hessian).
    :vartype Stop: BoolType | BoolKey
    :ivar StopProperties: Makes the AMS driver stop execution during the evaluation of PES point properties. This may for example be used to interrupt the numerical calculation of a Hessian. Note that this just works at the level of the loops used for the **numerical** calculation of the properties, so engines which calculate a property analytically may not be interruptible using this keyword. It is recommended to use this keyword in combination with the generic ``Stop`` keyword.
    :vartype StopProperties: BoolType | BoolKey
    """
    def __post_init__(self):
        self.Stop: BoolType | BoolKey = BoolKey(name='Stop', comment='Makes the AMS driver stop execution in an ordered manner at the next opportunity. This will not interrupt the execution in the middle of the numerical calculation of a PES point property (e.g. a Hessian).', default=False)
        self.StopProperties: BoolType | BoolKey = BoolKey(name='StopProperties', comment='Makes the AMS driver stop execution during the evaluation of PES point properties. This may for example be used to interrupt the numerical calculation of a Hessian. Note that this just works at the level of the loops used for the **numerical** calculation of the properties, so engines which calculate a property analytically may not be interruptible using this keyword. It is recommended to use this keyword in combination with the generic ``Stop`` keyword.', default=False)