Objective 1

[ryanmrichard]

We budgeted 6 months for this Objective.

Tasks:

• Adding SIGMA to TENSORWRAPPER.
• Grid Class #33
• Ability to compute AOs on a grid #34
• LDA Functional #35
• XC Matrix and XC energy #36
• Demonstration of an end-to-end DFT-UQ run with the modified version
  of TENSORWRAPPER.
• Any performance tuning necessary for a proof-of-concept application to a system containing 10 atoms.