diff options
Diffstat (limited to 'src/cell.c')
-rw-r--r-- | src/cell.c | 15 |
1 files changed, 15 insertions, 0 deletions
@@ -179,6 +179,21 @@ UnitCell *cell_new_from_cell(UnitCell *orig) } +void cell_set_reciprocal(UnitCell *cell, + double asx, double asy, double asz, + double bsx, double bsy, double bsz, + double csx, double csy, double csz) +{ + if ( cell == NULL ) return; + + cell->axs = asx; cell->ays = asy; cell->azs = asz; + cell->bxs = bsx; cell->bys = bsy; cell->bzs = bsz; + cell->cxs = csx; cell->cys = csy; cell->czs = csz; + + cell->rep = CELL_REP_RECIP; +} + + /************************* Getter helper functions ****************************/ static int cell_crystallographic_to_cartesian(UnitCell *cell, |