Fix dielectric constant definition for parallel SPHERE working in XIV mode (4d69debb) · Commits · Giacomo Mulas / NP_TMcode

src/sphere/sphere.cpp

+6 −4

Original line number	Diff line number	Diff line
		@@ -494,7 +494,8 @@ int sphere_jxi488_cycle(
		// Dynamic order check
		const int max_lm = gconf->l_max;
		int l_max = gconf->l_max;
		const double alamb = 2.0 * pi / vk;
		double xi_factor = (sconf->reference_variable_name.compare("XIV") == 0) ? xi : 1.0;
		const double alamb = 2.0 * pi * xi_factor / vk;
		double size_par_lm = 2.0 * pi * sqrt(exdc) * sconf->get_max_radius() / alamb;
		int recommended_lm = 4 + (int)ceil(size_par_lm + 4.05 * pow(size_par_lm, 1.0 / 3.0));
		if (recommended_lm != l_max) {
		@@ -502,7 +503,7 @@ int sphere_jxi488_cycle(
		if (gconf->dyn_order_flag > 0) {
		int new_lm = recommended_lm;
		message = "INFO: lowering internal order from " + to_string(max_lm) + " to "
		+ to_string(recommended_lm) + " for scale iteration " + to_string(jxi488) + ".\n";
		+ to_string(recommended_lm) + " for scale iteration " + to_string(jxi488 + 1) + ".\n";
		logger->log(message, LOG_INFO);
		sid->update_order(new_lm);
		is_first_scale = true;
		@@ -510,7 +511,7 @@ int sphere_jxi488_cycle(
		l_max = new_lm;
		} else {
		message = "WARNING: internal order " + to_string(max_lm) + " for scale iteration "
		+ to_string(jxi488) + " too high (recommended order is " + to_string(recommended_lm)
		+ to_string(jxi488 + 1) + " too high (recommended order is " + to_string(recommended_lm)
		+ ").\n";
		logger->log(message, LOG_WARN);
		}
		@@ -536,8 +537,9 @@ int sphere_jxi488_cycle(
		sid->c1->dc0[ic] = sconf->get_dielectric_constant(ic, i132, jxi488); // WARNING: IDFC=0 is not tested!
		} else { // IDFC != 0
		if (is_first_scale) {
		int scale_to_extract = (sconf->reference_variable_name.compare("XIV") == 0) ? 0 : jxi488;
		for (int ic = 0; ic < ici; ic++) {
		sid->c1->dc0[ic] = sconf->get_dielectric_constant(ic, i132, jxi488);
		sid->c1->dc0[ic] = sconf->get_dielectric_constant(ic, i132, scale_to_extract);
		}
		}
		}

src/libnptm/sph_subs.cpp

+2 −2

File changed.

Contains only whitespace changes.