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Add evaluation method for _atom_site_Fourier_wave_vector.q3_coeff #72

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merged 3 commits into from
Feb 13, 2024

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@vaitkus vaitkus commented Feb 7, 2024

This PR adds an evaluation method for the _atom_site_Fourier_wave_vector.q3_coeff data item.

Almost identical methods are provided for _atom_site_Fourier_wave_vector.q1_coeff and _atom_site_Fourier_wave_vector.q2_coeff, but not for _atom_site_Fourier_wave_vector.q3_coeff.

@jamesrhester jamesrhester merged commit 00ab9cd into COMCIFS:main Feb 13, 2024
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@vaitkus vaitkus deleted the add-q3-coeff-method branch February 13, 2024 06:21
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