Fix neutron keys
Some of the keys in Sample
were note properly skipped in neutron_cross_sections
. This MR fixes that.
Also renames the following properties in the output Sample
:
-
S_q_w_coherent
->S_q_w_coh
-
S_q_w_incoherent
->S_q_w_incoh
-
S_q_w_total
->S_q_w
to be consistent with the input Sample
.
Edited by Eric Lindgren