diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org index b193f3a..b307c65 100644 --- a/org/qmckl_ao.org +++ b/org/qmckl_ao.org @@ -1871,6 +1871,13 @@ qmckl_exit_code qmckl_provide_ao_basis_shell_vgl(qmckl_context context) "qmckl_ao_basis_shell_vgl", NULL); } + + if(!(ctx->electron.provided)) { + return qmckl_failwith( context, + QMCKL_NOT_PROVIDED, + "qmckl_electron", + NULL); + } /* Compute if necessary */ if (ctx->electron.coord_new_date > ctx->ao_basis.shell_vgl_date) {