Command line interface

matscipy provides command line interfaces (CLIs) for selected functionality. These CLIs are installed per default and are prefixed with matscipy-.

Many of the CLI commands use a parameter file for control. This is a Python file called params.py that resides in directory where the command is executed. The parameter file can be queried programmatically using the matscipy.has_parameter() and matscipy.parameter() utility functions. These functions automatically echo the values of the parameters, including whether it was specified by the user or whether a default parameter was used, to the log.

• Diffusion
  • matscipy-rms
• Electrochemistry
  • Overview of commands
  • Usage
• Fracture mechanics
  • matscipy-quasistatic-crack
  • matscipy-sinclair-crack
  • matscipy-sinclair-continuation
• Interatomic potentials
  • matscipy-average-eam-potential
• Structure generation
  • matscipy-quench