diff --git a/python/src/qmckl.i b/python/src/qmckl.i index bbc450a..e19e1cc 100644 --- a/python/src/qmckl.i +++ b/python/src/qmckl.i @@ -29,6 +29,7 @@ %cstring_bounded_output(char* function_name, 1024); %cstring_bounded_output(char* message, 1024); +%cstring_bounded_output(char* const basis_type, 2); /* This block is needed make SWIG convert NumPy arrays to/from from the C pointer and size_max argument. NOTE: `numpy.i` interface file is not part of SWIG but it is included in the numpy distribution (under numpy/tools/swig/numpy.i) diff --git a/python/test/test_api.py b/python/test/test_api.py index 2c85456..3b42216 100644 --- a/python/test/test_api.py +++ b/python/test/test_api.py @@ -35,6 +35,9 @@ assert mo_num == 404 pq.set_electron_coord(ctx, 'T', coord) +ao_type = pq.get_ao_basis_type(ctx) +assert 'G' in ao_type + size_max = 5*walk_num*elec_num*mo_num mo_vgl = pq.get_mo_basis_mo_vgl(ctx, size_max)