ncrystal
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mctools
NCrystal : a library for thermal neutron transport in crystals and other materials
As upstream databases evolve (or even deprecate certain entries, e.g. https://docs.materialsproject.org/changes/database-versions) we should make sure we catch any changes affecting our data library. When it comes to crystal structures, a...
NCrystal binary lib should not use std::cout directly when used from python, and on a related note we might want to support custom output logging/streaming with the same infrastructure. As...
As mentioned on #155, it might be useful to support `dir2=any` or `dir2=auto` (or even just allowing dir2 to be emitted although that is likely misleading). For cases where you...
It would be nice to support windows. A reasonable first step would be to try to get the ncrystal package on conda-forge working on windows.
As seen in #151 such a split would be useful for packaging, and might solve the issue of how to properly install NCrystal into a system-wide environment without resorting to...
Specifically avogadros constant should be `6.02214076e23 // Source: 2018 CODATA ` We could investigate others. See https://physics.nist.gov/cgi-bin/cuu/Value?na|search_for=avogadro
As discussed with various people over the years (@dddijulio , @marquezj , @rozyczko, @AlexanderBackis ... ?) it might be interesting to add some sort of improved modelling of energy-dependent scattering...
As described very well by the usecase of @KBGrammer in #144, it would be useful for NCrystal to also provide natural abundances, to let the composition-flattening use it by default,...
Perhaps we should add a CITATION.cff file? https://citation-file-format.github.io/ To be investigated.
Add feature to output ENDF format.
