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crystalfp / standardize.c
Created May 17, 2024 08:28
Example spg_standardize_cell
#include <stdio.h>
#include <stdlib.h>
#include "spglib.h"
static void sub_spg_standardize_cell(double lattice[3][3], double position[][3],
int types[], int const num_atom,
double const symprec,
int const to_primitive,
int const no_idealize) {