diff --git a/qpms/ewald.c b/qpms/ewald.c index 215e962..874701d 100644 --- a/qpms/ewald.c +++ b/qpms/ewald.c @@ -16,7 +16,7 @@ #endif #ifndef INTEGRATION_EPSABS -#define INTEGRATION_EPSABS 0 +#define INTEGRATION_EPSABS 1e-13 #endif #ifndef INTEGRATION_EPSREL diff --git a/tests/ewalds.c b/tests/ewalds.c index 0dd3603..56e2b28 100644 --- a/tests/ewalds.c +++ b/tests/ewalds.c @@ -40,6 +40,9 @@ ewaldtest_triang_params paramslist[] = { { 3, {1.1, 0.23}, 2.3, 0.97, 0.5, 20, 20, 1., TRIANGULAR_HORIZONTAL}, { 3, {1.1, 0.23}, 2.3, 0.97, 0.5, 20, 20, 1., TRIANGULAR_VERTICAL}, { 3, {1.1, 0.23}, 2.3, 0.97, 0.5, 30, 30, 1., TRIANGULAR_VERTICAL}, + { 3, {1.1, 0.23}, 2.3, 0.97, 0.9, 30, 30, 1., TRIANGULAR_VERTICAL}, + { 3, {1.1, 0.23}, 2.3, 0.97, 1.3, 30, 30, 1., TRIANGULAR_VERTICAL}, + { 3, {1.1, 0.23}, 2.3, 0.97, 1.9, 30, 30, 1., TRIANGULAR_VERTICAL}, // end: // { 0, {0, 0}, 0, 0, 0, 0, 0, 0, 0} }; @@ -71,9 +74,13 @@ int main() { qpms_y_t y = qpms_mn2y_sc(m,n); qpms_y_t y_conj = qpms_mn2y_sc(-m,n); // y n m sigma_total (err), regsigmas_416 regsigmas_415_recon - printf("%zd %d %d: %.16g%+.16gj (%.3g) %.16g%+.16gj %.16g%+.16gj\n", + printf("%zd %d %d: T:%.16g%+.16gj(%.3g) S:%.16g%+.16gj(%.3g) L:%.16g%+.16gj(%.3g) \n| predict %.16g%+.16gj \n| actual %.16g%+.16gj\n", y, n, m, creal(r->sigmas_total[y]), cimag(r->sigmas_total[y]), r->err_sigmas_total[y], + creal(r->sigmas_long[y]), cimag(r->sigmas_total[y]), + r->err_sigmas_long[y], + creal(r->sigmas_short[y]), cimag(r->sigmas_short[y]), + r->err_sigmas_short[y], creal(r->regsigmas_416[y]), cimag(r->regsigmas_416[y]), creal(r->sigmas_total[y])+creal(r->sigmas_total[y_conj]), cimag(r->sigmas_total[y])-cimag(r->sigmas_total[y_conj])