Files
DicePlayer/diceplayer/shared/config/step_dto.py

18 lines
392 B
Python

from diceplayer.shared.environment.molecule import Molecule
from dataclasses import dataclass
from typing import List
@dataclass
class StepDTO:
nprocs: int = None
ncores: int = None
altsteps: int = None
switchcyc: int = None
opt: str = None
nmol: List[int] = None
molecule: List[Molecule] = None
charges: List[float] = None
position: List[float] = None