vaspparser.vasp.structure

Functions

atoms_from_string(string[, read_velocities, ...])	Routine to convert a string list read from a input/output structure file and convert into Atoms instance
get_number_species_atoms(structure)	Returns a dictionary with the species in the structure and the corresponding count in the structure
get_poscar_content(structure[, ...])	Generate the lines of a POSCAR-format file from a structure object.
get_species_list_from_potcar([filename])	Generates the species list from a POTCAR type file
manip_contcar(filename, new_filename, add_pos)	Manipulate a CONTCAR/POSCAR file by adding something to the positions
read_atoms([filename, return_velocities, ...])	Routine to read structural static from a POSCAR type file
vasp_sorter(structure)	Routine to sort the indices of a structure as it would be when written to a POSCAR file
write_poscar(structure[, filename, ...])	Writes a POSCAR type file from a structure object