diff --git a/chgnet/graph/cygraph.pyx b/chgnet/graph/cygraph.pyx index 436021dd..6540d92b 100644 --- a/chgnet/graph/cygraph.pyx +++ b/chgnet/graph/cygraph.pyx @@ -66,12 +66,12 @@ cdef extern from 'fast_converter_libraries/create_graph.c': LongToDirectedEdgeList** get_neighbors(Node* node) def make_graph( - const np.intp_t[::1] center_index, - const np.intp_t n_e, - const np.intp_t[::1] neighbor_index, - const np.intp_t[:, ::1] image, + const np.int64_t[::1] center_index, + const np.int64_t n_e, + const np.int64_t[::1] neighbor_index, + const np.int64_t[:, ::1] image, const np.float64_t[::1] distance, - const np.intp_t num_atoms + const np.int64_t num_atoms ): cdef ReturnElems2* returned returned = create_graph( ¢er_index[0], n_e, &neighbor_index[0], &image[0][0], &distance[0], num_atoms)