Thomas Kittelmann
Thomas Kittelmann
As discussed with @MilanKlausz the data library page in the wiki needs a serious overhaul and upgrade (cf. also #123). We are considering several ideas: * Generate the DB, plot...
As explained here: https://stackoverflow.com/questions/57673825/how-to-force-gcc-to-assume-that-a-floating-point-expression-is-non-negative/57674631#57674631 we should compile with `-fno-math-errno` for more efficient code (not sure if this only affects gcc, or also clang?). Obviously as a private compilation flag for...
As pointed out during a seminar today, there is really no need to spend a huge amount of CPU time in single crystal models at very high neutron energies. We...
In the ncrystaldev repo (and thus in the simple-build-dgcode CI) we have several unit tests that fail on osx due to tiny floating-point variations between macos and linux (or, clang...
In addition to the https://github.com/mctools/ncrystal/wiki/CfgRefDoc and https://github.com/mctools/ncrystal/wiki/Data-library reference-doc pages, we should have a few more user friendly pages related to the concept of material definition. We need to let people...
Although B4C and Gd2O3 are already available via the `solid::B4C/...` syntax, they lack the automatic density calculation found in https://mctools.github.io/simplebuild-dgcode/ (at least for B4C). Perhaps a few simple .ncmat files...
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.