Modules

See also

• Command Line Interface (CLI)

List of all modules:

• Basic classes
  • Generic input file reader
  • Generic calculator
• Harmonic Approximation
  • Employed functions
• Quasi-Harmonic Approximation
• Equation of State
  • Equation of State fitting class
  • P-V EoS formulations
• Elastic constants analysis
  • SOEC calculator object
  • SOEC utilities
  • SOEC symmetry search
• Volume-integrated Equation of State
• Input files readers
  • (Quasi-)Harmonic Approximation inputs
  • Equation of State inputs
  • Elastic constants
• Interfaces to ab initio codes
  • CRYSTAL14/17
  • Phonopy
  • VASP
• Measurement units conversion
  • Temperature
  • Pressure
  • Energy
  • Lenght
  • Volume
  • Energy –> Pressure
  • Pressure –> Energy