struct NWChemCResult¶

Overview¶

Result of energy+gradient (atomic units). More…

#include <nwchem_c_abi.h>
 
struct NWChemCResult {
    // fields
 
    int ok;
    double energy_h;
    char message[512];
};

Result of energy+gradient (atomic units).

int ok

1 success, 0 failure

double energy_h

total energy Hartree

char message[512]

status / error, NUL-terminated