diff --git a/tests/test_scalar_ewald32.c b/tests/test_scalar_ewald32.c index 8a0d236..7673876 100644 --- a/tests/test_scalar_ewald32.c +++ b/tests/test_scalar_ewald32.c @@ -223,8 +223,10 @@ ewaldtest2d_results *ewaldtest2d(const ewaldtest2d_params p) { results->sigmas_total[y] = results->sigmas_short[y] + results->sigmas_long[y]; results->err_sigmas_total[y] = results->err_sigmas_short[y] + results->err_sigmas_long[y]; } - results->sigmas_total[0] += results->sigma0; - results->err_sigmas_total[0] += results->err_sigma0; + if(!include_origin) { // "Renormalised" contribution of origin point + results->sigmas_total[0] += results->sigma0; + results->err_sigmas_total[0] += results->err_sigma0; + } // Now calculate the reference values [LT(4.16)] results->regsigmas_416 = calloc(nelem_sc, sizeof(complex double));