Radovan Bast
Radovan Bast
I would like to make it possible to read in density matrices in a "compressed" format where we skip zeros and very small numbers, in other words some sparse format....
On GitHub, add `/compare` behind repository URL. We need to add this to solutions/ hints.
Where is a good place to add it?
This was done because it seems difficult to get a consistent Python version for the interpreter, libraries, and pybind11. Until then testing only the compilation.
This possible problem was pointed out by @jaimeaxel. https://github.com/dftlibs/numgrid/blob/master/numgrid/AtomGrid.cpp#L94-L95
To address #39 but also other smaller issues that I was unhappy with I am in the process of rewriting the code from ground up. Rewrite is basically done and...
It would be more intuitive to only specify the command.
Instead of starting from zero and adding to it we could start from something small and working which learners adjust. This is possibly more realistic and it would also avoid...