G. P. Müller

Results 135 comments of G. P. Müller

As noted in #528, it would make sense to allow the user to specify whether the geometry should potentially be updated when reading images/chains.

See also https://en.wikipedia.org/wiki/HSL_and_HSV

After testing it a little, I have the impression it would be better to first activate all compiler warnings and work through those. Then one could go through all the...

I'm actually not so convinced of this anymore. While trying around with it, it did not seem to help more with the Spirit codebase than compiler warnings.

Actually, due to the fact that clang-tidy can provide IDE support (e.g. via [clangd](https://clangd.llvm.org/features), which has a [vs code extension](https://marketplace.visualstudio.com/items?itemName=llvm-vs-code-extensions.vscode-clangd)) and corresponding auto-fixes and refactorings, it would in fact be...

Activating all the checks in [my previous comment](https://github.com/spirit-code/spirit/issues/561#issuecomment-607803481) is definitely overkill. However, there are plenty of checks that have a high probability to be pointing to an actual bug or...

The options are: - use atom types to define an impurity cluster and, if adatom on a lattice site, use an extra layer of almost only of vacancies - setup...

Did some work towards this on `feature-impurity-cluster` (starting with 60d040691e4e0c84355749fea7cb160acfbb5608). However, I am currently not sure that it wouldn't be better to simply write a Python script, which generates the...

Another idea to simplify the creation of a large, inhomogeneous system might be to allow some scripting in the input file(s). https://github.com/ChaiScript/ChaiScript seems a very good candidate for a lightweight...

Related to #31, #79 and part of #220.