calphy

• calphy
  • Dependencies
    • Optional
  • Installation
  • Notes on the LAMMPS installation

Documentation

• Documentation
  • pytint input file
    • main keys
    • calculation block
    • md block
    • queue block
    • conv block
  • Running calphy

Examples

• Examples
  • Example 01: Calculation of free energy
  • Example 02: Phase transformation in Fe
  • Example 03: Calculation of Cu melting temperature
  • Example 04: Pressure-temperature phase diagram of Cu

API reference

• calphy package
  • Submodules
  • calphy.alchemy module
  • calphy.helpers module
  • calphy.input module
  • calphy.integrators module
  • calphy.kernel module
  • calphy.lattice module
  • calphy.liquid module
  • calphy.queuekernel module
  • calphy.scheduler module
  • calphy.solid module
  • calphy.splines module
  • Module contents

Indices and tables

• Index

• Module Index

• Search Page

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