diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 80430a5..abeac12 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -5330,11 +5330,11 @@ assert(fabs(dtmp_c[0][1][0][0][0][0] - 0.237440520852232) < 1e-12); *** Get #+begin_src c :comments org :tangle (eval h_func) :noweb yes -qmckl_exit_code qmckl_get_jastrow_factor_een(qmckl_context context, double* const factor_een); +qmckl_exit_code qmckl_get_jastrow_factor_een(qmckl_context context, double* const factor_een, int64_t* size_max); #+end_src #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none -qmckl_exit_code qmckl_get_jastrow_factor_een(qmckl_context context, double* const factor_een) +qmckl_exit_code qmckl_get_jastrow_factor_een(qmckl_context context, double* const factor_een, int64_t* size_max) { if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) { return QMCKL_NULL_CONTEXT; @@ -5350,6 +5350,7 @@ qmckl_exit_code qmckl_get_jastrow_factor_een(qmckl_context context, double* cons int64_t sze = ctx->electron.walk_num * ctx->electron.num; memcpy(factor_een, ctx->jastrow.factor_een, sze*sizeof(double)); + (*size_max)=sze; return QMCKL_SUCCESS; } @@ -5803,7 +5804,8 @@ print("factor_een:",factor_een) assert(qmckl_jastrow_provided(context)); double factor_een[walk_num]; -rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0])); +size_max=0; +rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0]),&size_max); assert(fabs(factor_een[0] + 0.37407972141304213) < 1e-12); #+end_src @@ -5817,11 +5819,11 @@ assert(fabs(factor_een[0] + 0.37407972141304213) < 1e-12); *** Get #+begin_src c :comments org :tangle (eval h_func) :noweb yes -qmckl_exit_code qmckl_get_jastrow_factor_een_deriv_e(qmckl_context context, double* const factor_een_deriv_e); +qmckl_exit_code qmckl_get_jastrow_factor_een_deriv_e(qmckl_context context, double* const factor_een_deriv_e, int64_t* size_max); #+end_src #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none -qmckl_exit_code qmckl_get_jastrow_factor_een_deriv_e(qmckl_context context, double* const factor_een_deriv_e) +qmckl_exit_code qmckl_get_jastrow_factor_een_deriv_e(qmckl_context context, double* const factor_een_deriv_e, int64_t* size_max) { if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) { return QMCKL_NULL_CONTEXT; @@ -5837,6 +5839,7 @@ qmckl_exit_code qmckl_get_jastrow_factor_een_deriv_e(qmckl_context context, doub int64_t sze = ctx->electron.walk_num * ctx->electron.num; memcpy(factor_een_deriv_e, ctx->jastrow.factor_een_deriv_e, sze*sizeof(double)); + (*size_max)=sze; return QMCKL_SUCCESS; } @@ -6382,7 +6385,8 @@ print("factor_een:",factor_een) assert(qmckl_jastrow_provided(context)); double factor_een_deriv_e[walk_num][elec_num]; -rc = qmckl_get_jastrow_factor_een_deriv_e(context, &(factor_een_deriv_e[0][0])); +size_max=0; +rc = qmckl_get_jastrow_factor_een_deriv_e(context, &(factor_een_deriv_e[0][0]),&size_max); assert(fabs(factor_een_deriv_e[0][0] + 0.0005481671107226865) < 1e-12); #+end_src