qha documentation¶
- 1. Tutorials
- 2. API reference
- 2.1. Make input file for
qha - 2.2. Read standard input data file
- 2.3. Statistical mechanics functions
- 2.4. Single configuration free energy
- 2.5. Multi-configurations free energy
- 2.6. Interpolate on a dense volume mesh
- 2.7. Fitting Birch–Murnaghan equation of state
- 2.8. Convert \(f(T, V)\) to \(f(T,P)\)
- 2.9. Thermodynamic properties
- 2.10. Some miscellaneous functions
- 2.11. Data model for user computational settings
- 2.12. Fast unit conversion functions
- 2.1. Make input file for
- 3. Development