#include <global.h>
Definition at line 473 of file global.h.
◆ atom_unlabelled
◆ cartesian
Cartesian (1) or Fractional coordinates (0)
Definition at line 481 of file global.h.
◆ coord
Atomic coordinates
Definition at line 480 of file global.h.
◆ dummy
◆ info
Information message, if required
Definition at line 487 of file global.h.
◆ label
VAS or TRJ: list of chemical labels,
CIF: Label list of mis-labelled object(s)
Definition at line 488 of file global.h.
◆ lattice
Description of the periodicity
Definition at line 485 of file global.h.
◆ lot
Chemical species by atom
Definition at line 482 of file global.h.
◆ mid
Message type (0 = error, 1 = warning), if any
Definition at line 486 of file global.h.
◆ multi
◆ natomes
◆ ndummy
◆ nspec
Number of chemical species
Definition at line 477 of file global.h.
◆ nsps
Number of atoms by species
Definition at line 479 of file global.h.
◆ num_sym_pos
Number of symmetry positions, if any
Definition at line 492 of file global.h.
◆ object_list
◆ object_to_insert
Number of object(s) to label
Definition at line 501 of file global.h.
◆ occupancy
Site(s) occupancy
Definition at line 496 of file global.h.
◆ occupied
Occupancy status
Definition at line 497 of file global.h.
◆ setting
Space group setting
Definition at line 494 of file global.h.
◆ steps
◆ sym_pos
The symmetry positions, if any
Definition at line 493 of file global.h.
◆ traj
◆ u_atom_list
◆ wyckoff
Wyckoff positions
Definition at line 495 of file global.h.
List of atomic numbers
Definition at line 478 of file global.h.
The documentation for this struct was generated from the following file: