Visual edition and model creation using Atomes

Using Atomes "Crystal builder" it is possible to build crystalline structures or even super-structures. Also if the model description contains a box, then cell edition options become available:

  • Wrap atoms in original cell

  • Shift cell center

  • Add extra cell(s)

  • Create super cell

  • Change the model density

  • Cut slabs or extract atoms from the model.

And if the model contains only a single configuration (and not a molecular dynamics trajectory), or when an empty project is created, the atom(s) edition options/mode become available:

  • Motion (random or selected atom(s))

  • Replacement (random or selected atom(s))

  • Removal (random or selected atom(s))

  • Insertion

For a complete description of these features see chapter 6.