Thomas Kittelmann
Thomas Kittelmann
We should stop printing warnings from python modules via simple print statements and instead emit them via the standard warnings module. A few things to consider: * cmdline tools should...
We could consider accepting a "crystallite size"/"mosaic block size" parameter and implement peak broadening due to small grain size via Scherrers formula: https://en.wikipedia.org/wiki/Scherrer_equation
I realised that we might be able to improve the speed with which we can sample scattering events for incoherent elastic scattering, beyond what we have now - in the...
When using NCrystal in Geant4, we currently hardcode a transition threshold between G4 and NCrystal at 5eV (=0.128Å). There might be isotopes/atoms where nuclear resonances reach that far down, so...
In order to work more easily on e.g. #40, UCN modes, improved Gn-based sampling at lowE, etc., it would be good if we generalised the concept of s scattering kernel...
The "gasmix" quick factory support added in release 3.2.0 (cf. https://github.com/mctools/ncrystal/wiki/Announcement-Release3.2.0) likely addresses the most urgent needs for interested users. However, as is mentioned on the announcement page, converting a...
Both in order to remove numerical artifacts in beta-sampling at low E (see for instance plot in [this comment](https://github.com/mctools/ncrystal/issues/109#issuecomment-1327176462) in #109) and to support a future cell-based sampling (#40), it...
For various reasons it might be useful to provide a simple utility for doing MC stepping simulations in very simple geometries and with all physics models coming from NCrystal. The...
Again today an issue came up where it would have been useful to be able to show macroscopic cross sections (in cm^-1) with ncrystal_inspectfile. Opening this issue to remind us...
It would be useful to be able to specify temperature validity range in an .ncmat file, since (for instance) a file tuned at room temperature might not actually perform well...