lan496

lan496

import math
import itertools

import numpy as np
from scipy.spatial import KDTree
from pymatgen.core.sites import PeriodicSite


def get_kdtree(structure, cutoff):
    recp_len = np.array(structure.lattice.reciprocal_lattice.abc)

lan496

from itertools import product
import numpy as np

def enumerate_ANX(oxi_states, max_ratio=8):
    ret = []
    for anx in product(range(1, max_ratio + 1), repeat=len(oxi_states)):
        if np.sum(np.array(oxi_states) * np.array(anx)) == 0:
            ret.append(anx)
    return ret

lan496

# Copyright (c) Pymatgen Development Team.
from math import acos, sqrt

import numpy as np
from scipy.special import sph_harm
from sympy.physics.wigner import wigner_3j
from pymatgen.analysis.local_env import CrystalNN


def get_neighbor_sites(structure, n, cutoff):

lan496

from functools import lru_cache
from itertools import product

from scipy.special import binom


def polya_counting(permutation_group, num_color):
    cnt = 0
    for perm in permutation_group:
        type_of_perm = get_type_of_permutation(perm)

lan496

from pymatgen.core import Structure, DummySpecie
from pymatgen.core.sites import PeriodicSite


def unique_species(structure: Structure):
    list_species = [site.species for site in structure if not site.is_ordered]
    uniqued = []
    for sp in list_species:
        flag = True
        for sp2 in uniqued:

lan496

from time import sleep

from joblib import Parallel, delayed
from timeout_decorator import timeout, TimeoutError


@timeout(10, use_signals=False)
def f(n):
    if n == 0:
        sleep(42)

lan496

"""
refs.
- https://atc001.contest.atcoder.jp/tasks/unionfind_a
- https://github.com/phil-mansfield/UnionFind.jl
- https://github.com/spaghetti-source/algorithm/blob/master/data_structure/union_find.cc
"""
mutable struct UnionFind{T <: Integer}
    parent:: Vector{T}  # parent[root] is the negative of the size

    function UnionFind{T}(nodes::T) where T<:Integer

lan496

import pulp


class SudokuSolver:
    # ref: https://pythonhosted.org/PuLP/CaseStudies/a_sudoku_problem.html
    def __init__(self, cell_initial):
        self.cell_initial = cell_initial

        self.rows = [i for i in range(1, 9 + 1)]
        self.cols = [i for i in range(1, 9 + 1)]

lan496

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// @author       lan496
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