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@marquezj - thank you - I see now!
Going through the NCrystal tutorial I cannot find how to couple NJOY with NCrystal v2 (other than this tutorial). I prefer calling NCrystal with NJOY as I need to create TSL files in ENDF/ACE format. Or does NCrystal secretly also create ENDF files? I have a .ncmat file that I wrote. Perhaps there is a ncmat2endf command?
Since I have VDOS (Phonon DOS), I would like to use NCrystal to construct Bragg edges and then feed it back into the NJOY to create ENDF+ACE files. Other than the route provided in this tutorial, I cannot see if it's possible directly with NCrystal.
@vedantkm NCrystal does not do anything secretly. It is free software, everything is there to see in the source. If you need to do something that has not been yet implemented (such as producing ENDF files), get the code and modify it. What I said is you could call it from NJOY, but you have to do it yourself.
@marquezj Thank you for the clarification! I will attempt to implement NJOY with newer version of NCrystal!
FYI, the "hack" presented in this gist has been superseded by a new release called NJOY+NCrystal:
Thank you @marquezj. I finally got to utilize it. Unfortunately, the generated results from NJOY+Ncrystal are deviating significantly when compared to the FLASSH code. Perhaps, we should take the conversation private and discuss?
Well, I am not sure what that code does, but I would always compare with experimental data first.
Anyway, if you want to ask about NJOY+NCrystal just send me an email.
@vedantkm NCrystal creates an scattering object in memory. Three years ago, when I wrote this, NCrystal did not support inelastic scattering, but we used it to compute the structure factor.
Now, in NCrystal version 2, it computes everything that LEAPR supports (and a lot of more), and you could call it from NJOY to put it in ENDF format. But you can also call it directly from Monte Carlo to get the scattering cross section at a given energy and to sample the scattering events. This feature is already implemented for McStas and Geant4.