diff --git a/src/sphere/edfb.cpp b/src/sphere/edfb.cpp
index a40dea360e6cd01e076d8792493d47f9f64638f5..574c089e6245b7e82eb7b0c24fbaf3875e8d9d4b 100644
--- a/src/sphere/edfb.cpp
+++ b/src/sphere/edfb.cpp
@@ -50,19 +50,19 @@ int main(int argc, char **argv) {
// Input file reading section
int num_lines = 0;
- int last_read_line; // Keep track of where INXI left the input stream
+ int last_read_line = 0; // Keep track of where the input stream was left
string *file_lines = load_file("../../test_data/sphere/DEDFB", &num_lines);
// Configuration code
int nsph, ies;
- sscanf(file_lines[0].c_str(), " %d %d", &nsph, &ies);
+ sscanf(file_lines[last_read_line].c_str(), " %d %d", &nsph, &ies);
if (ies != 0) ies = 1;
double exdc, wp, xip;
int exdc_exp, wp_exp, xip_exp;
int idfc, nxi, instpc, insn;
int nsh;
sscanf(
- file_lines[1].c_str(),
+ file_lines[++last_read_line].c_str(),
" %9lf D%d %9lf D%d %8lf D%d %d %d %d %d",
&exdc, &exdc_exp,
&wp, &wp_exp,
@@ -78,28 +78,274 @@ int main(int argc, char **argv) {
const double pigt = acos(0.0) * 4.0;
const double evc = 6.5821188e-16;
if (idfc >= 0) {
- printf("Not walked by input data.\n");
+ // Not walked by default input data
+ // This part of the code in not tested
+ vss = new double[nxi];
+ xiv = new double[nxi];
+ pus = new double[nxi];
+ evs = new double[nxi];
+ wns = new double[nxi];
+ wls = new double[nxi];
+ if (instpc == 0) { // The variable vector is explicitly defined
+ double vs;
+ int vs_exp;
+ for (int jxi_r = 0; jxi_r < nxi; jxi_r++) {
+ sscanf(file_lines[++last_read_line].c_str(), " %lf D%d", &vs, &vs_exp);
+ vs *= pow(10.0, vs_exp);
+ vss[jxi_r] = vs;
+ }
+ switch (insn) {
+ case 1: //xi vector definition
+ vns[insn - 1] = "XIV";
+ fprintf(output, " JXI XIV WNS WLS PUS EVS\n");
+ for (int jxi210w = 0; jxi210w < nxi; jxi210w++) {
+ xiv[jxi210w] = vss[jxi210w];
+ pus[jxi210w] = xiv[jxi210w] * wp;
+ evs[jxi210w] = pus[jxi210w] * evc;
+ wns[jxi210w] = pus[jxi210w] / 3.0e8;
+ wls[jxi210w] = pigt / wns[jxi210w];
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi210w + 1),
+ xiv[jxi210w],
+ wns[jxi210w],
+ wls[jxi210w],
+ pus[jxi210w],
+ evs[jxi210w]
+ );
+ }
+ break;
+ case 2: //wave number vector definition
+ vns[insn - 1] = "WNS";
+ fprintf(output, " JXI WNS WLS PUS EVS XIV\n");
+ for (int jxi230w = 0; jxi230w < nxi; jxi230w++) {
+ wns[jxi230w] = vss[jxi230w];
+ wls[jxi230w] = pigt / wns[jxi230w];
+ xiv[jxi230w] = 3.0e8 * wns[jxi230w] / wp;
+ pus[jxi230w] = xiv[jxi230w] * wp;
+ evs[jxi230w] = pus[jxi230w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi230w + 1),
+ wns[jxi230w],
+ wls[jxi230w],
+ pus[jxi230w],
+ evs[jxi230w],
+ xiv[jxi230w]
+ );
+ }
+ break;
+ case 3: //wavelength vector definition
+ vns[insn - 1] = "WLS";
+ fprintf(output, " JXI WLS WNS PUS EVS XIV\n");
+ for (int jxi250w = 0; jxi250w < nxi; jxi250w++) {
+ wls[jxi250w] = vss[jxi250w];
+ wns[jxi250w] = pigt / wls[jxi250w];
+ xiv[jxi250w] = 3.0e8 * wns[jxi250w] / wp;
+ pus[jxi250w] = xiv[jxi250w] * wp;
+ evs[jxi250w] = pus[jxi250w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi250w + 1),
+ wls[jxi250w],
+ wns[jxi250w],
+ pus[jxi250w],
+ evs[jxi250w],
+ xiv[jxi250w]
+ );
+ }
+ break;
+ case 4: //pu vector definition
+ vns[insn - 1] = "PUS";
+ fprintf(output, " JXI PUS WNS WLS EVS XIV\n");
+ for (int jxi270w = 0; jxi270w < nxi; jxi270w++) {
+ pus[jxi270w] = vss[jxi270w];
+ xiv[jxi270w] = pus[jxi270w] / wp;
+ wns[jxi270w] = pus[jxi270w] / 3.0e8;
+ wls[jxi270w] = pigt / wns[jxi270w];
+ evs[jxi270w] = pus[jxi270w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi270w + 1),
+ pus[jxi270w],
+ wns[jxi270w],
+ wls[jxi270w],
+ evs[jxi270w],
+ xiv[jxi270w]
+ );
+ }
+ break;
+ case 5: //eV vector definition
+ vns[insn - 1] = "EVS";
+ fprintf(output, " JXI EVS WNS WLS PUS XIV\n");
+ for (int jxi290w = 0; jxi290w < nxi; jxi290w++) {
+ evs[jxi290w] = vss[jxi290w];
+ pus[jxi290w] = evs[jxi290w] / evc;
+ xiv[jxi290w] = pus[jxi290w] / wp;
+ wns[jxi290w] = pus[jxi290w] / 3.0e8;
+ wls[jxi290w] = pigt / wns[jxi290w];
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi290w + 1),
+ evs[jxi290w],
+ wns[jxi290w],
+ wls[jxi290w],
+ pus[jxi290w],
+ xiv[jxi290w]
+ );
+ }
+ break;
+ }
+ } else { // The variable vector needs to be computed in steps
+ double vs, vs_step;
+ int vs_exp, vs_step_exp;
+ sscanf(file_lines[++last_read_line].c_str(), " %lf D%d %lf D%d", &vs, &vs_exp, &vs_step, &vs_step_exp);
+ vs *= pow(10.0, vs_exp);
+ vs_step *= pow(10.0, vs_step_exp);
+ switch (insn) {
+ case 1: //xi vector definition
+ vns[insn - 1] = "XIV";
+ fprintf(output, " JXI XIV WNS WLS PUS EVS\n");
+ for (int jxi110w = 0; jxi110w < nxi; jxi110w++) {
+ vss[jxi110w] = vs;
+ xiv[jxi110w] = vss[jxi110w];
+ pus[jxi110w] = xiv[jxi110w] * wp;
+ wns[jxi110w] = pus[jxi110w] / 3.0e8;
+ evs[jxi110w] = pus[jxi110w] * evc;
+ wls[jxi110w] = pigt / wns[jxi110w];
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi110w + 1),
+ xiv[jxi110w],
+ wns[jxi110w],
+ wls[jxi110w],
+ pus[jxi110w],
+ evs[jxi110w]
+ );
+ vs += vs_step;
+ }
+ break;
+ case 2: //wave number vector definition
+ vns[insn - 1] = "WNS";
+ fprintf(output, " JXI WNS WLS PUS EVS XIV\n");
+ for (int jxi130w = 0; jxi130w < nxi; jxi130w++) {
+ vss[jxi130w] = vs;
+ wns[jxi130w] = vss[jxi130w];
+ xiv[jxi130w] = 3.0e8 * wns[jxi130w] / wp;
+ pus[jxi130w] = xiv[jxi130w] * wp;
+ wls[jxi130w] = pigt / wns[jxi130w];
+ evs[jxi130w] = pus[jxi130w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi130w + 1),
+ wns[jxi130w],
+ wls[jxi130w],
+ pus[jxi130w],
+ evs[jxi130w],
+ xiv[jxi130w]
+ );
+ vs += vs_step;
+ }
+ break;
+ case 3: //wavelength vector definition
+ vns[insn - 1] = "WLS";
+ fprintf(output, " JXI WLS WNS PUS EVS XIV\n");
+ for (int jxi150w = 0; jxi150w < nxi; jxi150w++) {
+ vss[jxi150w] = vs;
+ wls[jxi150w] = vss[jxi150w];
+ wns[jxi150w] = pigt / wls[jxi150w];
+ xiv[jxi150w] = 3.0e8 * wns[jxi150w] / wp;
+ pus[jxi150w] = xiv[jxi150w] * wp;
+ evs[jxi150w] = pus[jxi150w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi150w + 1),
+ wls[jxi150w],
+ wns[jxi150w],
+ pus[jxi150w],
+ evs[jxi150w],
+ xiv[jxi150w]
+ );
+ vs += vs_step;
+ }
+ break;
+ case 4: //pu vector definition
+ vns[insn - 1] = "PUS";
+ fprintf(output, " JXI PUS WNS WLS EVS XIV\n");
+ for (int jxi170w = 0; jxi170w < nxi; jxi170w++) {
+ vss[jxi170w] = vs;
+ pus[jxi170w] = vss[jxi170w];
+ xiv[jxi170w] = pus[jxi170w] / wp;
+ wns[jxi170w] = pus[jxi170w] / 3.0e8;
+ wls[jxi170w] = pigt / wns[jxi170w];
+ evs[jxi170w] = pus[jxi170w] * evc;
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi170w + 1),
+ pus[jxi170w],
+ wns[jxi170w],
+ wls[jxi170w],
+ evs[jxi170w],
+ xiv[jxi170w]
+ );
+ vs += vs_step;
+ }
+ break;
+ case 5: //eV vector definition
+ vns[insn - 1] = "EVS";
+ fprintf(output, " JXI EVS WNS WLS PUS XIV\n");
+ for (int jxi190w = 0; jxi190w < nxi; jxi190w++) {
+ vss[jxi190w] = vs;
+ evs[jxi190w] = vss[jxi190w];
+ pus[jxi190w] = evs[jxi190w] / evc;
+ xiv[jxi190w] = pus[jxi190w] / wp;
+ wns[jxi190w] = pus[jxi190w] / 3.0e8;
+ wls[jxi190w] = pigt / wns[jxi190w];
+ fprintf(
+ output,
+ "%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
+ (jxi190w + 1),
+ evs[jxi190w],
+ wns[jxi190w],
+ wls[jxi190w],
+ pus[jxi190w],
+ xiv[jxi190w]
+ );
+ vs += vs_step;
+ }
+ break;
+ }
+ }
+ // End of the untested code section.
} else {
if (instpc < 1) {
// In this case the XI vector is explicitly defined.
// Test input comes this way.
- vns[insn] = "XIV";
- List<double> xi_vector;
- double xi;
+ double xi, pu, wn;
int xi_exp;
- sscanf(file_lines[2].c_str(), " %9lE D%d", &xi, &xi_exp);
+ vns[insn - 1] = "XIV";
+ List<double> xi_vector;
+ sscanf(file_lines[++last_read_line].c_str(), " %9lE D%d", &xi, &xi_exp);
xi *= pow(10.0, xi_exp);
xi_vector.set(0, xi);
for (int jxi310 = 1; jxi310 < nxi; jxi310++) {
- sscanf(file_lines[2 + jxi310].c_str(), " %9lE D%d", &xi, &xi_exp);
+ sscanf(file_lines[++last_read_line].c_str(), " %9lE D%d", &xi, &xi_exp);
xi *= pow(10.0, xi_exp);
xi_vector.append(xi);
- last_read_line = 2 + jxi310;
}
vss = xi_vector.to_array();
xiv = xi_vector.to_array();
- double pu = xip + wp;
- double wn = pu / 3.0e8;
+ pu = xip + wp;
+ wn = pu / 3.0e8;
fprintf(output, " XIP WN WL PU EV\n");
fprintf(output, " %13.4lE", xip);
fprintf(output, "%13.4lE", wn);
@@ -198,7 +444,7 @@ int main(int argc, char **argv) {
if (iog[i473 - 1] != i473) continue;
ici = (nshl[i473 - 1] + 1) / 2;
if (i473 == 1) ici += ies;
- fprintf(output, " SPHERE N. %d\n", i473);
+ fprintf(output, " SPHERE N. %4d\n", i473);
for (int ic472 = 0; ic472 < ici; ic472++) {
double dc0_real = dc0m[ic472][i473 - 1][0].real(), dc0_img = dc0m[ic472][i473 - 1][0].imag();
fprintf(output, "%5d %12.4lE%12.4lE\n", (ic472 + 1), dc0_real, dc0_img);
@@ -206,6 +452,20 @@ int main(int argc, char **argv) {
}
} else {
fprintf(output, " DIELECTRIC FUNCTIONS\n");
+ for (int i478 = 1; i478 <= nsph; i478++) {
+ if (iog[i478 - 1] != i478) continue;
+ ici = (nshl[i478 - 1] + 1) / 2;
+ if (i478 == 1) ici += ies;
+ fprintf(output, " SPHERE N. %4d\n", i478);
+ for (int ic477 = 1; ic477 <= ici; ic477++) {
+ fprintf(output, " NONTRANSITION LAYER N. %2d , SCALE = %3c\n", ic477, vns[insn - 1].c_str());
+ for (int jxi476 = 0; jxi476 < nxi; jxi476++) {
+ double dc0_real = dc0m[ic477 - 1][i478 - 1][jxi476].real();
+ double dc0_img = dc0m[ic477 - 1][i478 - 1][jxi476].imag();
+ fprintf(output, "%5d (%12.4lE,%12.4lE)\n", (jxi476 + 1), dc0_real, dc0_img);
+ }
+ }
+ }
}
fclose(output);
return 0;