Minor changes

devel/cassdtq/generators.irp.f

@@ -31,11 +31,11 @@ BEGIN_PROVIDER [ integer, N_det_generators ]
   call write_int(6,N_det_generators,'Number of generators')
 END_PROVIDER
 
- BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,psi_det_size) ]
-&BEGIN_PROVIDER [ double precision, psi_coef_generators, (psi_det_size,N_states) ]
-&BEGIN_PROVIDER [ integer(bit_kind), psi_det_sorted_gen, (N_int,2,psi_det_size) ]
-&BEGIN_PROVIDER [ double precision, psi_coef_sorted_gen, (psi_det_size,N_states) ]
-&BEGIN_PROVIDER [ integer, psi_det_sorted_gen_order, (psi_det_size) ]
+ BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,N_det) ]
+&BEGIN_PROVIDER [ double precision, psi_coef_generators, (N_det,N_states) ]
+&BEGIN_PROVIDER [ integer(bit_kind), psi_det_sorted_gen, (N_int,2,N_det) ]
+&BEGIN_PROVIDER [ double precision, psi_coef_sorted_gen, (N_det,N_states) ]
+&BEGIN_PROVIDER [ integer, psi_det_sorted_gen_order, (N_det) ]
   implicit none
   BEGIN_DOC
   ! For Single reference wave functions, the generator is the

devel/trexio/qp_import_trexio.py

@@ -248,7 +248,10 @@ def write_ezfio(trexio_filename, filename):
                "ROHF" : "Canonical",
                "UHF" : "Canonical",
                "Natural": "Natural" }
+    try:
        label = labels[trexio.read_mo_type(trexio_file)]
+    except KeyError:
+       label = "Canonical"
     ezfio.set_mo_basis_mo_label(label)
 
     try:
@@ -369,7 +372,8 @@ def get_full_path(file_path):
 if __name__ == '__main__':
     ARGUMENTS = docopt(__doc__)
 
-    trexio_filename = get_full_path(ARGUMENTS['FILE'])
+    FILE = ARGUMENTS['FILE']
+    trexio_filename = get_full_path(FILE)
 
     if ARGUMENTS["--output"]:
         EZFIO_FILE = get_full_path(ARGUMENTS["--output"])