edrixs.rixs_2v1c_fort and similar

NSLS-II / edrixs

An open source toolkit for simulating RIXS spectra based on ED

https://nsls-ii.github.io/edrixs

GNU General Public License v3.0

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Open mpmdean opened 5 years ago

mpmdean commented 5 years ago

edrixs.rixs_2v1c_fort seems to rely on having called an ed calculation before and reading in hopping.in files.

Is this behavior optimal?

Either way, I think the docustring should make this clearer.

shenmidelin commented 5 years ago

Yes, xas_2v1c_fort and rixs_2v1c_fort need inputs files hopping. and coulomb. , which are generated by ed_2v1c_fort.

I agree with you, we should make it explicitly in docstring.