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Nix-QChem / NixOS-QChem

Nix expressions for HPC/Quantum chemistry software packages
MIT License
80 stars 17 forks source link

qmcpack: add utility scripts and python modules #549

Closed sheepforce closed 2 months ago

sheepforce commented 2 months ago

Adds QMCPack utility scripts in Python and Perl to the installation and ensures, that the AFQMCTools are available as Python package.

Closes #547