diff options
Diffstat (limited to 'src/cell.h')
| -rw-r--r-- | src/cell.h | 7 |
1 files changed, 7 insertions, 0 deletions
@@ -60,6 +60,13 @@ extern void cell_get_cartesian(UnitCell *cell, double *bx, double *by, double *bz, double *cx, double *cy, double *cz); +extern void cell_set_cartesian_x(UnitCell *cell, + double ax, double bx, double cx); +extern void cell_set_cartesian_y(UnitCell *cell, + double ay, double by, double cy); +extern void cell_set_cartesian_z(UnitCell *cell, + double az, double bz, double cz); + extern void cell_get_reciprocal(UnitCell *cell, double *asx, double *asy, double *asz, double *bsx, double *bsy, double *bsz, |