Skip to main content
Ctrl+K

libcasm-xtal

  • Installation
  • Usage
  • Prim Examples
  • Reference
  • Bibliography
  • GitHub
  • PyPI
  • Installation
  • Usage
  • Prim Examples
  • Reference
  • Bibliography
  • GitHub
  • PyPI

Section Navigation

  • Lattice construction and symmetry analysis
  • Primitive crystal structure construction and symmetry analysis
  • Superlattice enumeration
  • Structure construction and symmetry analysis
  • Input and output
  • Usage

Usage#

  • Lattice construction and symmetry analysis
    • Lattice construction
    • Common lattices
    • Coordinate conversions
    • Symmetry operations
    • Lattice point group generation
    • Symmetry operation information
    • Lattice comparison
    • Lattice equivalence
    • Lattice canonical form
  • Primitive crystal structure construction and symmetry analysis
    • Occupation DoF
    • Continuous local DoF
    • Strain DoF
    • Common prim
    • Primitive cell
    • Canonical cell
    • Factor group
    • Crystal point group
  • Superlattice enumeration
    • Superlattice relationships
    • Enumerating superlattices
    • Super-duper lattice
  • Structure construction and symmetry analysis
    • Structure construction
    • Structure properties
    • Common structures
    • Structure factor group generation
    • Crystal point group
    • Structure manipulation
      • Move coordinates within the unit cell
      • Make a superstructure
      • Apply a transformation to a structure
      • Filter or sort atoms in a structure
      • Substitute species
      • Combine structures
      • Custom manipulations
  • Input and output
    • Converting to and from Python types
    • JSON serialization
    • Printing CASM objects
    • Column-vector vs row-vector representations
    • Reference

previous

Installation

next

Lattice construction and symmetry analysis

© Copyright 2023, CASM Developers.

Created using Sphinx 8.2.3.

Built with the PyData Sphinx Theme 0.16.1.