craabreu

from typing import Union

import numpy as np
import openmm

from openmm import unit


class CSVRIntegrator(openmm.CustomIntegrator):
    """

craabreu

import typing as t
import math


def combination(n: int, k: int, m: int) -> t.Generator[int, None, None]:
    """
    Return the m-th combination (in lexicographic order) of the n integers from 0 to
    n-1, taken k at a time.
    """
    a, b, x = n, k + 1, math.comb(n, k)