aiida-plumed
AiiDA plugin providing support for Plumed2.
NOTE: This plugin is in a pre-alpha development state and is not currently usable.
Installation
git clone https://github.com/ConradJohnston/aiida-plumed .
cd aiida-plumed
pip install -e . # also installs aiida, if missing (but not postgres)
#pip install -e .[precommit,testing] # install extras for more features
verdi quicksetup # better to set up a new profile
verdi calculation plugins # should now show your calclulation pluginsUsage
Here goes a complete example of how to submit a test calculation using this plugin.
License
MIT
