diff --git a/python/test/test_api.py b/python/test/test_api.py index 2c85456..ccffd45 100644 --- a/python/test/test_api.py +++ b/python/test/test_api.py @@ -28,12 +28,10 @@ fname = join('data', 'Alz_small.h5') pq.trexio_read(ctx, fname) print('trexio_read: passed') -pq.set_electron_walk_num(ctx, walk_num) - mo_num = pq.get_mo_basis_mo_num(ctx) assert mo_num == 404 -pq.set_electron_coord(ctx, 'T', coord) +pq.set_electron_coord(ctx, 'T', walk_num, coord) size_max = 5*walk_num*elec_num*mo_num