int memory; /**< amount of memory used in Mbyte. XXX:? */
int runtype; /**< flag indicating the calculation method. */
int scftype; /**< SCF type: RHF, UHF, ROHF, GVB or MCSCF wfn. */
- int status; /**< indicates wether SCF and geometry optimization
+ int status; /**< indicates whether SCF and geometry optimization
* have converged properly. */
int num_electrons; /**< number of electrons. XXX: can be fractional in some DFT codes */
int totalcharge; /**< total charge of system. XXX: can be fractional in some DFT codes */