Add dpnblist package with CUDA support
This PR introduces the following changes:
-
New Directory: Added the source code to the
dmff/dpnblistdirectory. The package can be installed as a dependency using the commandpip install .. This allows for the automatic detection of CUDA environment to compile a CUDA version of dpnblist if available. -
Class Addition: Modified
common/nblist.pyby adding aNeighborListDpclass. This new class functions similarly to theNeighborListFreudclass, providing an alternative for users.
Rationale
The addition of dpnblist aims to enhance the project by providing a package that can leverage CUDA for improved performance when available. The NeighborListDp class offers an additional option for users who require different neighbor list functionalities.