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Many-body extension of the flare code

Project description

Build Status

flare++

Documentation can be accessed here. An introductory tutorial in Google Colab is available here.

Installation

pip install flare_pp

If you're installing on Harvard's compute cluster, load the following modules first:

module load cmake/3.17.3-fasrc01 python/3.6.3-fasrc01 gcc/9.3.0-fasrc01

Compiling LAMMPS

See lammps_plugins/README.md.

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