diff options
Diffstat (limited to 'src/cell.h')
| -rw-r--r-- | src/cell.h | 13 |
1 files changed, 9 insertions, 4 deletions
@@ -19,9 +19,9 @@ typedef struct { /* Crystallographic representation */ - double a; /* nm */ - double b; /* nm */ - double c; /* nm */ + double a; /* m */ + double b; /* m */ + double c; /* m */ double alpha; /* Radians */ double beta; /* Radians */ double gamma; /* Radians */ @@ -40,7 +40,7 @@ typedef struct { extern UnitCell *cell_new(void); -/* Lengths in nm, angles in radians */ +/* Lengths in m, angles in radians */ extern UnitCell *cell_new_from_parameters(double a, double b, double c, double alpha, double beta, double gamma); @@ -57,4 +57,9 @@ extern void cell_get_cartesian(UnitCell *cell, double *bx, double *by, double *bz, double *cx, double *cy, double *cz); +extern void cell_get_reciprocal(UnitCell *cell, + double *asx, double *asy, double *asz, + double *bsx, double *bsy, double *bsz, + double *csx, double *csy, double *csz); + #endif /* CELL_H */ |