diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index 31da1cd..e13cbc5 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -180,6 +180,19 @@ int64_t qmckl_get_mo_basis_mo_num (const qmckl_context context) { return ctx->mo_basis.mo_num; } +bool qmckl_mo_basis_provided(const qmckl_context context) { + + if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) { + return false; + } + + qmckl_context_struct* const ctx = (qmckl_context_struct* const) context; + assert (ctx != NULL); + + return ctx->mo_basis.provided; +} + + #+end_src ** Initialization functions @@ -768,7 +781,7 @@ for (int i=0; i