You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Reusing the same MaterialParameters object for multiple calculations mutates it, causing an assertion error.
Traceback (most recent call last):
File "/pscratch/sd/a/ash/He/hcp/pres_sweep/calc_darkmagic.py", line 44, in <module>
material = PhononMaterial(material_name, params, yaml_file)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/global/u1/a/ash/code/DarkMAGIC/darkmagic/material.py", line 271, in __init__
properties.validate_for_phonons(n_atoms)
File "/global/u1/a/ash/code/DarkMAGIC/darkmagic/material.py", line 90, in validate_for_phonons
assert any(np.any(v) for v in d.values())
The text was updated successfully, but these errors were encountered:
Reusing the same
MaterialParameters
object for multiple calculations mutates it, causing an assertion error.The text was updated successfully, but these errors were encountered: