friendzone.nwx2ase.nwchem_via_ase

Functions

load_nwchem_via_ase_modules(plugin)

Adds the collection of all ASE(NWChem) modules to a plugin.

Module Contents

friendzone.nwx2ase.nwchem_via_ase.load_nwchem_via_ase_modules(plugin)

Adds the collection of all ASE(NWChem) modules to a plugin.

Note

This function is a no-op if NWChem is not installed.

Parameters:

plugin (pluginplay.Plugin) – The plugin the modules will be added to.