Developer Documentation
1.0.0
Contents:
NWChemEx Community
Design Documentation
NWChemEx Philosophy
NWChemEx Visions
NWChemEx Ecosystem
Overall Design
Overall Design Justification
Why Object-Oriented Programming?
Sure it Looks Pretty, But is it Going to Scale?
Why is C++ the Primary Language of NWChemEx?
Why is the NWChemEx API Written in Python?
Design of the Python Binding Architecture
Why not Just Have One Giant Repo?
Why Do We Need PluginPlay?
Why Do We Need SimDE?
Why Do We Need ChemCache?
Why Do We Need Mokup?
Why are the Repositories Partitioned this Way?
Why Does NWChemEx Rely on Two Tensor Libraries?
Energy Workflow
User Interface Design
FAQs
Documenting NWChemEx
NWChemEx Organization Conventions
Developing NWChemEx
Testing NWChemEx
Continuous Deployment
Additional Developer Resources
References
Developer Documentation
Design Documentation
Overall Design Justification
Why Do We Need Mokup?
Edit on GitHub
Why Do We Need Mokup?
Basically, why not just call a module?