diff --git a/oganesson/genetic_algorithms/__init__.py b/oganesson/genetic_algorithms/__init__.py index 20e7a3e..54cc1c6 100644 --- a/oganesson/genetic_algorithms/__init__.py +++ b/oganesson/genetic_algorithms/__init__.py @@ -1,22 +1,22 @@ from ase.io import write -from ase.ga import get_raw_score -from ase.ga.data import DataConnection -from ase.ga.population import Population -from ase.ga.utilities import closest_distances_generator, CellBounds -from ase.ga.ofp_comparator import OFPComparator -from ase.ga.offspring_creator import OperationSelector -from ase.ga.standardmutations import StrainMutation -from ase.ga.soft_mutation import SoftMutation -from ase.ga.cutandsplicepairing import CutAndSplicePairing +from ase_ga import get_raw_score +from ase_ga.data import DataConnection +from ase_ga.population import Population +from ase_ga.utilities import closest_distances_generator, CellBounds +from ase_ga.ofp_comparator import OFPComparator +from ase_ga.offspring_creator import OperationSelector +from ase_ga.standardmutations import StrainMutation +from ase_ga.soft_mutation import SoftMutation +from ase_ga.cutandsplicepairing import CutAndSplicePairing from oganesson.genetic_algorithms.particle_mutations import ( Poor2richPermutation, Rich2poorPermutation, ) from ase import Atoms from ase.data import atomic_numbers -from ase.ga.startgenerator import StartGenerator -from ase.ga.data import PrepareDB -from ase.ga import set_raw_score +from ase_ga.startgenerator import StartGenerator +from ase_ga.data import PrepareDB +from ase_ga import set_raw_score from oganesson.ogstructure import OgStructure import os from typing import List diff --git a/oganesson/genetic_algorithms/particle_mutations.py b/oganesson/genetic_algorithms/particle_mutations.py index ad5a87d..6e85310 100644 --- a/oganesson/genetic_algorithms/particle_mutations.py +++ b/oganesson/genetic_algorithms/particle_mutations.py @@ -1,9 +1,9 @@ import numpy as np from operator import itemgetter from oganesson.ogstructure import OgStructure -from ase.ga.offspring_creator import OffspringCreator -from ase.ga.utilities import get_distance_matrix -from ase.ga.particle_mutations import Mutation +from ase_ga.offspring_creator import OffspringCreator +from ase_ga.utilities import get_distance_matrix +from ase_ga.particle_mutations import Mutation from ase import Atoms def get_nndist(atoms, distance_matrix, rmax): diff --git a/setup.py b/setup.py index eccb32d..d94396c 100644 --- a/setup.py +++ b/setup.py @@ -26,6 +26,7 @@ keywords=["ai", "machine learning", 'material science'], install_requires=[ "ase", + "ase_ga", "pandas", "numpy", "pymatgen",