ncrystal
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NCrystal : a library for thermal neutron transport in crystals and other materials
Compilation of NCrystal with the intel compiler fails. I'm attempting this with NCrystal 3.7.1. The build works with gcc, and I usually use 9.4.0. **Additional context** Build was attempted with...
``` ncrystal_vdos2ncmat --help Traceback (most recent call last): File "/home/runner/work/ncrystal/ncrystal/install/bin/ncrystal_vdos2ncmat", line 85, in import numpy as np ModuleNotFoundError: No module named 'numpy' ```
In connection with #176, perhaps it would be useful to have the atomDB as an external file (could be a simple csv file). Then bound atom cross sections and abundances...
Currently materials in NCrystal are represented as a system of atoms. At high energies, the cross section goes to the free atom cross section that can be computed from the...
This is related to the issue of "differential cross sections", but loosely speaking (ignoring non-isotropic materials for now) one of the two variables (E,mu) is sampled and the other is...
NCrystal v2.0.0 (to be released shortly) will include support for scattering kernels. Although we will already be using the improved sampling algorithm for these that we published in 2018, I...
I have to postpone the update of the data-library page in connection with the incoming v3.6.0 release of NCrystal, since for some obscure reason images that look fine locally, fail...
On conda-forge the ncrystal-feedstock/recipe/meta.yaml currently has python in the host and run sections. However, as per https://conda-forge.org/docs/maintainer/knowledge_base.html (see the noarch-generic section), we should most likely only have a python dependency...
It would be useful if the DI_VDOSDebye provides an analyseVDOS() method. That way DynamicInfo.analyseVDOS() would work whether it is a DI_VDOS or DI_VDOSDebye object. Maybe it would also be better...
To be most systematic about ABI versioning, we could perhaps use: https://github.com/lvc/abi-compliance-checker