FriendZone

FriendZone maintains a series of interfaces to existing electronic structure packages.

Contents:

• Installation
  • Step 0: Setup a Python Virtual Environment
  • Step 1: Install FriendZone Dependencies
  • Step 2: Install FriendZone
  • Step 3: Play Nicely with Friends
  • How to Install Our Various Friends
• FriendZone Design
  • FriendZone Architecture

APIs:

• friendzone
  • Subpackages
  • Submodules
  • Functions
  • Package Contents
• Modules API
  • ChemicalSystem via QCElemental
  • nwchem : B3LYP
  • nwchem : B3LYP Gradient
  • nwchem : CCSD
  • nwchem : CCSD Gradient
  • nwchem : CCSD(T)
  • nwchem : CCSD(T) Gradient
  • nwchem : MP2
  • nwchem : MP2 Gradient
  • nwchem : SCF
  • nwchem : SCF Gradient
• C++ API