AiiDA plugin providing support for Plumed2.
NOTE: This plugin is in a pre-alpha development state and is not currently usable.
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 plugins
Here goes a complete example of how to submit a test calculation using this plugin.