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NECI
Documentation
Contents
Source Files
Modules
Procedures
Abstract Interfaces
Derived Types
Program
Source Files
Modules
Procedures
Abstract Interfaces
Derived Types
Program
Documentation
Documentation
Use the sidebar to access either the user documentation or the developer documentation.
Documentation
Using NECI
Installation
Quickstart Tutorial
Calculation inputs
Output files
Trial wave functions
Sampling excited states
Davidson RAS code
Performing error analysis
Using the NECI pylib
Additional Reading with Technical Details
References
Developer's guide to NECI
Code conventions
Comments and documentation
Git Overview
Review guidelines
Don’t Repeat Yourself (DRY)
Don’t optimise prematurely
Let the compiler help you
Tooling
Tracking memory usage
Code templating
Testing
Interfacing C (and C++) code
Debugging tips
Guide to specific code in NECI
Indexing conventions
References