species specifies the labels for the unique atomic species in the simulation, as found in the input XYZ file. It is always used in conjunction with
n_species, and has dimensions
n_species. A maximum of 8 characters per species can be used. Usually, there is no reason to use more than two characters, e.g., "Fe" for iron.
|Required/optional||Type||Accepted values||Default||See also|
|Required||Array of characters of maximum 8 characters, with dimension
||ASCII/Unicode characters, but may be compiler dependent||None - the user must specify a value|