diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index e13cbc5..2914c62 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -377,6 +377,13 @@ qmckl_exit_code qmckl_provide_mo_vgl(qmckl_context context) NULL); } + if (!ctx->mo_basis.provided) { + return qmckl_failwith( context, + QMCKL_NOT_PROVIDED, + "qmckl_mo_basis", + NULL); + } + /* Compute if necessary */ if (ctx->electron.coord_new_date > ctx->mo_basis.mo_vgl_date) {