Skip to content

get_magnetic_symmetry_dataset seg fault #348

@joasode

Description

@joasode

When I try to get the magnetic dataset with large symprec, I get Segmentation fault (core dumped). It would be desirable to have similar behavior as the ordinary get_symmetry_dataset which returns None.

from spglib import get_magnetic_symmetry_dataset
from numpy import logspace
cell = ([[4, 0, 0.0],
         [0, 4, 0.0],
         [0, 0, 18]],
        [[0, 0, 0.57],
         [0.5, 0.5, 0.43],
         [0.5, 1, 0.5],
         [0, 0.5, 0.5]],
        [ 9,  9, 25, 25],
        [ 0,  0, -1,  1])

for symprec in logspace(-5, 1, 13):
    dataset = get_magnetic_symmetry_dataset(cell, symprec=symprec)
    print(dataset)

Metadata

Metadata

Assignees

Labels

Type

No type

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions