diff --git a/src/nwdft/scf_dft/dft_scf.F b/src/nwdft/scf_dft/dft_scf.F index 96a685a7ef..fbad96668e 100644 --- a/src/nwdft/scf_dft/dft_scf.F +++ b/src/nwdft/scf_dft/dft_scf.F @@ -232,6 +232,10 @@ c double precision gstote, estote integer do_cosmo_vem, istep_cosmo_vem logical do_cosmo_smd + +C RTDB flag for printing out all matrices + logical lprint_mats + c gcds = 0.d0 do_cosmo_vem = 0 @@ -2454,6 +2458,14 @@ C KAL C--------------------------------------------------------------------------- #endif + +C +C Print out matrices to stdout (useful for development and debugging) +C + if (.not.rtdb_get(rtdb, 'dft:print_mats', mt_log, 1, lprint_mats)) + $ lprint_mats = .false. + if (lprint_mats) call dft_print_mats (g_s, svals, g_svecs, + $ nmo, g_dens, g_focks) if (.not. ga_destroy(g_tmp)) call errquit