Programmer’s Manual

Coding and maintenance guidelines

• General Structure
• Coding standards
  • Including header files
  • Proper overloading of operator<<
  • Code formatting
• Documentation
  • How and what to document
  • Documeting methods in derived classes
  • How does this work?
• CMake usage
  • Adding new source subdirectories and/or files
    • New subdirectory
    • Searching for libraries
• Maintenance
  • Branching Model and Release Process
  • Pull Request Requirements
• Danger.Systems Warnings
• Danger.Systems Errors
  • Bump Version
  • Changelog
  • Updating Eigen Distribution
  • Git Pre-Commit Hooks
• Testing
  • Unit tests
  • Running Different Types of Tests
  • Division of Tests

Classes and functions reference

• Chemistry
• Environment
  • Cavity
  • Permittivity
  • DHScreening
  • GPESolver
  • PBESolver
  • LPBESolver
• Initial Guess
• Properties
• Quantum Mechanical Functions
• QMOperators
  • QMPotential
  • XCOperator
  • XCPotential
  • ReactionPotential
• SCF Solver