HvD: The arrays g_gmovecs should never be allocated in this routine. They are only used in dft_guessin, scf_vectors_guess and dft_guessout which manage these arrays appropriately. Allocating g_gmovecs leads to the handles becoming orphaned and cause a memory leak. This was demonstrated, for example, in the u_sodft test case.
HvD: The arrays g_gmovecs should never be allocated in this routine. They are
only used in dft_guessin, scf_vectors_guess and dft_guessout which manage
these arrays appropriately. Allocating g_gmovecs leads to the handles becoming
orphaned and cause a memory leak. This was demonstrated, for example, in the
u_sodft test case.





rangsimanketkaew/NWChem