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-rw-r--r--src/cell.c15
1 files changed, 15 insertions, 0 deletions
diff --git a/src/cell.c b/src/cell.c
index 79261249..cc252b70 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -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,