ncrystal-core 4.4.0

Library for thermal neutron transport in crystals and other materials.

NCrystal : A library for thermal neutron transport in crystals and other materials

The ncrystal-core package currently contains the NCrystal library and everything else needed to use the C or C++ APIs of NCrystal. It notably does not include any Python modules and most of the command line scripts (ncrystal-config being the exception), as those are provided in the ncrystal-python package.

In conda and Python environments, it is recommended that most users simply install and depend on the package named ncrystal which itself depends on both ncrystal-core and ncrystal-python.

Installation of the ncrystal-core package more specifically provides:

• The NCrystal shared library (a binary file)
  • This binary file (.so/.dylib/.dll) is really the "engine" behind NCrystal.
• Header files
  • These files (.hh/.h) are included when using the C/C++ API of NCrystal.
• The ncrystal-config command-line utility.
  • This binary executable can be used to get information about NCrystal. As long as it is your PATH, you can use it to find all the other components of NCrystal.
• CMake configuration files:
  • Enables downstream CMake-based projects to use NCrystal via CMake find_package(NCrystal) calls (but see the file <reporoot>/downstream_cmake/CMakeLists.txt for how such find_package calls should actually be written to work with pip install'ed NCrystal.
• The NCrystal standard data library (NCMAT data).
  • These might be distributed as actual files, or (the default) embedded directly into the shared library.

Referencing NCrystal in scientific work

A very substantial effort went into developing NCrystal. If you use it for your work, we would appreciate it if you would use the following primary reference in your work:

X.-X. Cai and T. Kittelmann, NCrystal: A library for thermal neutron transport, Computer Physics Communications 246 (2020) 106851, https://doi.org/10.1016/j.cpc.2019.07.015

For work benefitting from elastic physics (e.g. Bragg diffraction), we furthermore request that you additionally also use the following reference in your work:

T. Kittelmann and X.-X. Cai, Elastic neutron scattering models for NCrystal, Computer Physics Communications 267 (2021) 108082, https://doi.org/10.1016/j.cpc.2021.108082

For work benefitting from our inelastic physics, we furthermore request that you additionally also use the following reference in your work:

X.-X. Cai, T. Kittelmann, et. al., "Rejection-based sampling of inelastic neutron scattering", Journal of Computational Physics 380 (2019) 400-407, https://doi.org/10.1016/j.jcp.2018.11.043