Alloy configs

fmt:

type: str, optional, default: lammps/lmp

argument path: fmt

The format of file content

atom_pert_dist:

type: float, optional, default: 0.0

argument path: atom_pert_dist

The distance of atomic position perturbation

cell_pert_frac:

type: float, optional, default: 0.0

argument path: cell_pert_frac

The faction of cell perturbation

concentration:

type: list | NoneType, optional, default: None

argument path: concentration

The concentration of each element. If None all elements have the same concentration

numb_confs:

type: int, optional, default: 1

argument path: numb_confs

The number of configurations to generate

replicate:

type: list | NoneType, optional, default: None

argument path: replicate

The number of replicates in each direction

type_map:

type: list

argument path: type_map

The type map of the system

lattice:

type: list | tuple

argument path: lattice

The lattice. Should be a list providing [ “lattice_type”, lattice_const ], or a list providing [ “/path/to/dpdata/system”, “fmt” ]. The two styles are distinguished by the type of the second element.