This is a demo project for the calculation framework Mona.
In PATH
:
mona_aims
: Runs FHI-aims, the executable may be specified by theMONA_AIMS
environment variable.aims-mona-demo
: FHI-aims executable, version 181110.
Environment variables:
AIMS_SPECIES_DEFAULTS
points to thespecies_defaults
directory.
git clone https://github.com/azag0/mona-demo.git
cd mona-demo
python3 -m venv venv
source venv/bin/activate
pip install -r requirements.txt
export MONA_APP=mona_demo:app
mona init
make