friendzone.nwx2nwchem

Functions

load_nwchem_modules(mm)

Loads the collection of modules that wrap NWChem calls.

Package Contents

friendzone.nwx2nwchem.load_nwchem_modules(mm)

Loads the collection of modules that wrap NWChem calls.

Currently, the modules in this collection are:

  1. NWChem : SCF

  2. NWChem : MP2

  3. NWChem : CCSD

  4. NWChem : CCSD(T)

Parameters:

mm (pluginplay.ModuleManager) – The ModuleManager that the NWChem Modules will be loaded into.