Add cromer-mann form factor option for computing total van hove

mattwthompson / scattering

Functions for analyzing molecular simulations according to scattering experiments

MIT License

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Add cromer-mann form factor option for computing total van hove #52

Open rmatsum836 opened 3 years ago

rmatsum836 commented 3 years ago

Cromer-mann was implemented for the structure factor in #48, now implementing for the van hove function.

rmatsum836 commented 3 years ago

Looks good to me. Only thing I have is that one version of the call to get_form_factor starting at line 166 is assigned to the entire variable form_factor while the other is a list element of form_factor, but I assume this is intended behavior.

Yep, this is because the cromer-man form factors are dependent on the scattering intensity, or inverse distance.