The physics in Atomes

• The periodic boundary conditions
• Radial distribution functions fundamentals
• Neutrons and X-rays scattering
  • Total scattering - Debye approach
  • Partial structure factors
• Local atomic coordination properties
  • Average first coordination numbers
  • Individual atomic neighbor analysis
  • Proportion of tetrahedral links and units in the structure model
  • Distribution of bond lengths for the first coordination spheres
  • Angles distributions
• Ring statistics
  • Size of the rings
  • Definitions
  • Description of a network using ring
  • Rings and connectivity: the R.I.N.G.S. method implemented in Atomes
  • Bond defects in ring statistics
  • Number of rings not found and that "potentially exist"
• Chain statistics
• Invariants of spherical harmonics as atomic order parameters
• Mean square displacement of atoms