Replace hard-coded 1e-12 by macro SIN_DTHETA2_CUTOFF
#define NUM_ATOMS_CRITERION_FOR_OPENMP 1000
#define ANGLE_REDUCE_RATE 0.95
+#define SIN_DTHETA2_CUTOFF 1e-12
#define NUM_ATTEMPT 100
#define PI 3.14159265358979323846
/* Tolerance of angle between lattice vectors in degrees */
@@ -1049,7 +1050,7 @@ static int is_identity_metric(SPGCONST double metric_rotated[3][3],
length_ave2 = ((length_orig[j] + length_rot[j]) *
(length_orig[k] + length_rot[k])) /
4;
- if (sin_dtheta2 > 1e-12) {
+ if (sin_dtheta2 > SIN_DTHETA2_CUTOFF) {
if (sin_dtheta2 * length_ave2 > symprec * symprec) {
goto fail;
}
