General Information for CLI
Basic properties of the command line interface for PM.
Command Line Functionality
Executing core functionality of PM from the command line.
Most key tasks can be performed from the command line, and here we document all such functionality.
Input tags
Input tags used by PM from the command line.
Array Parser
Entering vectors or matrices at command line or in a YAML file.
Prototype Crystals
A collection of sample crystals.
Symmetrizing atoms in crytal
A key task is to symmetrize the atoms such that they transform like irreducible representations.
Symmetrizing displacements in Crystal
A key task is to symmetrize the basis such that the vectors transform like irreducible representations.
Crystal structure
Provides cli for lattice class.
Products of Irreducible Representations
Perform direct products and symmetric direct products of irreps.
pm-convert-id-main-to-dev
The main branch has a different set of phase conventions than the development branch, and the irreducible derivatives must be converted in order to use them on the development branch.
pm-phonons-via-irr-derivatives
The phonon frequencies are computed from the irreducible derivatives. Various different levels of output are provided.
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