(git:c5411e0)
|
Structure that maps the given atom in the sourse FORCE_EVAL section with another atom from the target FORCE_EVAL section. More...
Data Fields | |
integer | iatom |
atomic index within the target FORCE_EVAL | |
integer, dimension(3) | cell |
cell replica | |
Structure that maps the given atom in the sourse FORCE_EVAL section with another atom from the target FORCE_EVAL section.
Definition at line 38 of file negf_atom_map.F.
integer negf_atom_map::negf_atom_map_type::iatom |
atomic index within the target FORCE_EVAL
Definition at line 40 of file negf_atom_map.F.
integer, dimension(3) negf_atom_map::negf_atom_map_type::cell |
cell replica
Definition at line 42 of file negf_atom_map.F.