GAMGI Interfaces: Atom Modify

# Atom Modify

- Element
- Property
- Analysis
- Position
- View
- Length
- Angle

Change here the characterization features of an atom (or list of atoms, previously selected with Atom->Select, when Global is pressed). Parameters for empty entries or Local choices remain unchanged.

### Temperature

Temperature information is needed to calculate Debye-Waller temperature factors, which, together with structure factors, are needed to calculate accurate X-ray and electron diffraction patterns.

### Occupancy

Although by default all atoms have occupancy 1.0, many experimental results can only be explained assuming that some positions are not always occupied by the same type of atom. Therefore these atoms have an average occupancy between 1.0 and 0.0. Apart from the structural information in itself, carried in these occupancy factors, they are needed to accurately calculate the diffraction structure factors and the corresponding diffraction patterns in solids and liquids.
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