diff options
Diffstat (limited to 'src/sfac.h')
-rw-r--r-- | src/sfac.h | 13 |
1 files changed, 8 insertions, 5 deletions
@@ -21,16 +21,19 @@ #include "cell.h" +#define MAX_ATOMS (128*1024) + + struct mol_species { char species[4]; /* Species name */ int n_atoms; /* Number of atoms of this species */ - double x[32*1024]; - double y[32*1024]; - double z[32*1024]; - double occ[32*1024]; - double B[32*1024]; + double x[MAX_ATOMS]; + double y[MAX_ATOMS]; + double z[MAX_ATOMS]; + double occ[MAX_ATOMS]; + double B[MAX_ATOMS]; }; |