search

COMCIFS / magnetic_dic

Development of the magnetic CIF dictionary
0 stars 4 forks source link

Change the prefix of some save frames from 'save__' to 'save_'. #44

Closed vaitkus closed 11 months ago

vaitkus commented 11 months ago

The _atom_site_Fourier_wave_vector.q[123]_coeff and _atom_site_Fourier_wave_vector.q_coeff data items are defined both in the this dictionary and in the imported MS_DIC (although possibly with different semantics!). However, since the save frame names of these data items are different, both definitions are retained during the initial merge.

If you prefer, I can change all of the save frame names to not have the double underscore or we can do it in a separate PR since those changes will be mainly cosmetic in whereas this one has some semantic implications.

jamesrhester commented 11 months ago

The other save frame underscores will be fixed when the PR for the properly laid-out dictionary is submitted.