Welcome to nachos’ documentation!

Code for numerical differentiation of energy and other properties (oriented toward computation electric properties like the hyperpolarizabilities and of vibrational contributions to such properties). Based on qcip_tools.

• Installing nachos
  • Normal install
  • (optional) Patching Dalton
  • Installation for contributors
• How to use nachos
  • Concepts
  • General workflow
  • Appendix
• Contributing
  • Design rules
  • Workflow
• Code documentation
  • Core (nachos.core)
  • Files (nachos.core.files)
  • Making (nachos.core.making)
  • Preparing (nachos.core.preparing)
  • Cooking (nachos.core.cooking)
  • Baking (nachos.core.baking)
  • Shaking (nachos.core.shaking)
  • Analyzing (nachos.core.analyzing)