From 692eba018dc5704f3c4def77413d52910c76ddfe Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 8 Oct 2014 13:14:51 +0200 Subject: [PATCH] Options n_states_diag in ezfio corrected --- src/Dets/options.irp.f | 30 +++++++++++++++++++++--------- 1 file changed, 21 insertions(+), 9 deletions(-) diff --git a/src/Dets/options.irp.f b/src/Dets/options.irp.f index c918e2c2..3f35ba4d 100644 --- a/src/Dets/options.irp.f +++ b/src/Dets/options.irp.f @@ -10,15 +10,6 @@ T.set_output ( "output_dets" ) print T -T.set_type ( "integer" ) -T.set_name ( "N_states_diag" ) -T.set_doc ( "Number of states to consider for the diagonalization " ) -T.set_ezfio_dir ( "determinants" ) -T.set_ezfio_name( "N_states_diag" ) -T.set_output ( "output_dets" ) -print T - - T.set_name ( "N_det_max_jacobi" ) T.set_doc ( "Maximum number of determinants diagonalized by Jacobi" ) T.set_ezfio_name( "N_det_max_jacobi" ) @@ -33,4 +24,25 @@ print T END_SHELL +BEGIN_PROVIDER [ integer, N_states_diag ] + implicit none + BEGIN_DOC +! Number of states to consider for the diagonalization + END_DOC + + logical :: has + PROVIDE ezfio_filename + call ezfio_has_determinants_n_states_diag(has) + if (has) then + call ezfio_get_determinants_n_states_diag(N_states_diag) + else + N_states_diag = N_states + endif + + call write_time(output_dets) + call write_int(output_dets, N_states_diag, & + 'N_states_diag') + + +END_PROVIDER