diff --git a/src/cluster/cluster.cpp b/src/cluster/cluster.cpp
index 67dda9a650ac30028f7dda443fd00fb0a1952665..a6d640b8c5d8c16290421e4d68bd46304659f84a 100644
--- a/src/cluster/cluster.cpp
+++ b/src/cluster/cluster.cpp
@@ -482,7 +482,7 @@ void cluster(const string& config_file, const string& data_file, const string& o
#endif
#pragma omp barrier
- } // close strided loop running on MPI processes
+ } // close strided loop running on MPI processes, ixi488 loop
// delete the shared arrays I used to make available to thread 0 the virtual files of other threads
#pragma omp barrier
if (myompthread == 0) {
@@ -633,769 +633,818 @@ void cluster(const string& config_file, const string& data_file, const string& o
fclose(timing_file);
delete time_logger;
delete logger;
+#ifdef MPI_VERSION
}
+#endif
}
int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, ClusterIterationData *cid, VirtualAsciiFile *output, const string& output_path, VirtualBinaryFile *vtppoanp)
{
- int nxi = sconf->number_of_scales;
- char virtual_line[256];
- string message = "INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n";
- Logger *logger = new Logger(LOG_DEBG);
- logger->log(message);
- chrono::duration<double> elapsed;
- chrono::time_point<chrono::high_resolution_clock> interval_start, interval_end;
- int jer = 0;
- int lcalc = 0;
- int jaw = 1;
- int li = gconf->li;
- int le = gconf->le;
- int lm = 0;
- if (le > lm) lm = le;
- if (li > lm) lm = li;
- int nsph = gconf->number_of_spheres;
- np_int mxndm = gconf->mxndm;
- int iavm = gconf->iavm;
- int inpol = gconf->in_pol;
- int npnt = gconf->npnt;
- int npntts = gconf->npntts;
- int isam = gconf->iavm;
- int jwtm = gconf->jwtm;
- np_int ndit = 2 * nsph * cid->c4->nlim;
- int isq, ibf;
+ int nxi = sconf->number_of_scales;
+ char virtual_line[256];
+ string message = "INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n";
+ Logger *logger = new Logger(LOG_DEBG);
+ logger->log(message);
+ chrono::duration<double> elapsed;
+ chrono::time_point<chrono::high_resolution_clock> interval_start, interval_end;
+ int jer = 0;
+ int lcalc = 0;
+ int jaw = 1;
+ int li = gconf->li;
+ int le = gconf->le;
+ int lm = 0;
+ if (le > lm) lm = le;
+ if (li > lm) lm = li;
+ int nsph = gconf->number_of_spheres;
+ np_int mxndm = gconf->mxndm;
+ int iavm = gconf->iavm;
+ int inpol = gconf->in_pol;
+ int npnt = gconf->npnt;
+ int npntts = gconf->npntts;
+ int isam = gconf->iavm;
+ int jwtm = gconf->jwtm;
+ np_int ndit = 2 * nsph * cid->c4->nlim;
+ int isq, ibf;
#ifdef USE_NVTX
- nvtxRangePush("Prepare matrix calculation");
+ nvtxRangePush("Prepare matrix calculation");
#endif
- sprintf(virtual_line, "========== JXI =%3d ====================\n\0", jxi488);
+ sprintf(virtual_line, "========== JXI =%3d ====================\n\0", jxi488);
+ output->append_line(virtual_line);
+ double xi = sconf->get_scale(jxi488 - 1);
+ double exdc = sconf->exdc;
+ double exri = sqrt(exdc);
+ int idfc = (int)sconf->idfc;
+ double vkarg = 0.0;
+ if (idfc >= 0) {
+ cid->vk = xi * cid->wn;
+ vkarg = cid->vk;
+ sprintf(virtual_line, " VK=%15.7lE, XI=%15.7lE\n\0", cid->vk, xi);
output->append_line(virtual_line);
- double xi = sconf->get_scale(jxi488 - 1);
- double exdc = sconf->exdc;
- double exri = sqrt(exdc);
- int idfc = (int)sconf->idfc;
- double vkarg = 0.0;
- if (idfc >= 0) {
- cid->vk = xi * cid->wn;
- vkarg = cid->vk;
- sprintf(virtual_line, " VK=%15.7lE, XI=%15.7lE\n\0", cid->vk, xi);
- output->append_line(virtual_line);
+ } else {
+ vkarg = xi * cid->vk;
+ cid->sqsfi = 1.0 / (xi * xi);
+ sprintf(virtual_line, " XI=%15.7lE\n\0", xi);
+ output->append_line(virtual_line);
+ }
+ hjv(exri, vkarg, jer, lcalc, cid->arg, cid->c1, cid->c1ao, cid->c4);
+ if (jer != 0) {
+ sprintf(virtual_line, " STOP IN HJV\n\0");
+ output->append_line(virtual_line);
+ return jer;
+ // break; // rewrite this to go to the end of the function, to free locally allocated variables and return jer
+ }
+ for (int i132 = 1; i132 <= nsph; i132++) {
+ int iogi = cid->c1->iog[i132 - 1];
+ if (iogi != i132) {
+ for (int l123 = 1; l123 <= li; l123++) {
+ cid->c1->rmi[l123 - 1][i132 - 1] = cid->c1->rmi[l123 - 1][iogi - 1];
+ cid->c1->rei[l123 - 1][i132 - 1] = cid->c1->rei[l123 - 1][iogi - 1];
+ } // l123 loop
} else {
- vkarg = xi * cid->vk;
- cid->sqsfi = 1.0 / (xi * xi);
- sprintf(virtual_line, " XI=%15.7lE\n\0", xi);
- output->append_line(virtual_line);
- }
- hjv(exri, vkarg, jer, lcalc, cid->arg, cid->c1, cid->c1ao, cid->c4);
- if (jer != 0) {
- sprintf(virtual_line, " STOP IN HJV\n\0");
- output->append_line(virtual_line);
- return jer;
- // break; // rewrite this to go to the end of the function, to free locally allocated variables and return jer
- }
- for (int i132 = 1; i132 <= nsph; i132++) {
- int iogi = cid->c1->iog[i132 - 1];
- if (iogi != i132) {
- for (int l123 = 1; l123 <= li; l123++) {
- cid->c1->rmi[l123 - 1][i132 - 1] = cid->c1->rmi[l123 - 1][iogi - 1];
- cid->c1->rei[l123 - 1][i132 - 1] = cid->c1->rei[l123 - 1][iogi - 1];
- } // l123 loop
+ int nsh = cid->c1->nshl[i132 - 1];
+ int ici = (nsh + 1) / 2;
+ if (idfc == 0) {
+ for (int ic = 0; ic < ici; ic++)
+ cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, jxi488 - 1);
} else {
- int nsh = cid->c1->nshl[i132 - 1];
- int ici = (nsh + 1) / 2;
- if (idfc == 0) {
+ if (jxi488 == 1) {
for (int ic = 0; ic < ici; ic++)
- cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, jxi488 - 1);
- } else {
- if (jxi488 == 1) {
- for (int ic = 0; ic < ici; ic++)
- cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, 0);
- }
- }
- if (nsh % 2 == 0) cid->c2->dc0[ici] = exdc;
- dme(
- cid->c4->li, i132, npnt, npntts, vkarg, exdc, exri,
- cid->c1, cid->c2, jer, lcalc, cid->arg
- );
- if (jer != 0) {
- sprintf(virtual_line, " STOP IN DME\n\0");
- output->append_line(virtual_line);
- return jer;
- //break;
+ cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, 0);
}
}
+ if (nsh % 2 == 0) cid->c2->dc0[ici] = exdc;
+ dme(
+ cid->c4->li, i132, npnt, npntts, vkarg, exdc, exri,
+ cid->c1, cid->c2, jer, lcalc, cid->arg
+ );
if (jer != 0) {
+ sprintf(virtual_line, " STOP IN DME\n\0");
+ output->append_line(virtual_line);
return jer;
//break;
}
- } // i132 loop
+ }
+ if (jer != 0) {
+ return jer;
+ //break;
+ }
+ } // i132 loop
#ifdef USE_NVTX
- nvtxRangePop();
+ nvtxRangePop();
#endif
- interval_start = chrono::high_resolution_clock::now();
+ interval_start = chrono::high_resolution_clock::now();
#ifdef USE_NVTX
- nvtxRangePush("Calculate inverted matrix");
+ nvtxRangePush("Calculate inverted matrix");
#endif
- cms(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6);
+ cms(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6);
#ifdef USE_NVTX
- nvtxRangePop();
+ nvtxRangePop();
#endif
- interval_end = chrono::high_resolution_clock::now();
- elapsed = interval_end - interval_start;
- message = "INFO: matrix calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
- logger->log(message);
- interval_start = chrono::high_resolution_clock::now();
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: matrix calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ interval_start = chrono::high_resolution_clock::now();
#ifdef USE_NVTX
- nvtxRangePush("Invert the matrix");
+ nvtxRangePush("Invert the matrix");
#endif
- invert_matrix(cid->am, ndit, jer, mxndm);
+ invert_matrix(cid->am, ndit, jer, mxndm);
#ifdef USE_NVTX
- nvtxRangePop();
+ nvtxRangePop();
#endif
- interval_end = chrono::high_resolution_clock::now();
- elapsed = interval_end - interval_start;
- message = "INFO: matrix inversion for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
- logger->log(message);
- if (jer != 0) {
- message = "ERROR: matrix inversion ended with error code " + to_string(jer) + ".\n";
- logger->err(message);
- return jer;
- // break; // jxi488 loop: goes to memory clean
- }
- interval_start = chrono::high_resolution_clock::now();
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: matrix inversion for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ if (jer != 0) {
+ message = "ERROR: matrix inversion ended with error code " + to_string(jer) + ".\n";
+ logger->err(message);
+ return jer;
+ // break; // jxi488 loop: goes to memory clean
+ }
+ interval_start = chrono::high_resolution_clock::now();
#ifdef USE_NVTX
- nvtxRangePush("Average calculation");
+ nvtxRangePush("Average calculation");
#endif
- ztm(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6, cid->c9);
- if (idfc >= 0) {
- if (jxi488 == jwtm) {
- int nlemt = 2 * cid->c4->nlem;
- string ttms_name = output_path + "/c_TTMS.hd5";
- TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m, "HDF5");
- ttms_name = output_path + "/c_TTMS";
- TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m);
- }
- }
- // label 156: continue from here
- if (inpol == 0) {
- sprintf(virtual_line, " LIN\n\0");
- output->append_line(virtual_line);
- } else { // label 158
- sprintf(virtual_line, " CIRC\n\0");
- output->append_line(virtual_line);
+ ztm(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6, cid->c9);
+ if (idfc >= 0) {
+ if (jxi488 == jwtm) {
+ int nlemt = 2 * cid->c4->nlem;
+ string ttms_name = output_path + "/c_TTMS.hd5";
+ TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m, "HDF5");
+ ttms_name = output_path + "/c_TTMS";
+ TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m);
}
- // label 160
- double cs0 = 0.25 * cid->vk * cid->vk * cid->vk / acos(0.0);
- double csch = 0.0, qschu = 0.0, pschu = 0.0, s0mag = 0.0;
- dcomplex s0 = 0.0 + 0.0 * I;
- scr0(cid->vk, exri, cid->c1, cid->c1ao, cid->c3, cid->c4);
- double sqk = cid->vk * cid->vk * exdc;
- aps(cid->zpv, cid->c4->li, nsph, cid->c1, sqk, cid->gaps);
- rabas(inpol, cid->c4->li, nsph, cid->c1, cid->tqse, cid->tqspe, cid->tqss, cid->tqsps);
- if (cid->c4->li != cid->c4->le) {
- sprintf(virtual_line, " SPHERES; LMX=LI\n\0");
+ }
+ // label 156: continue from here
+ if (inpol == 0) {
+ sprintf(virtual_line, " LIN\n\0");
+ output->append_line(virtual_line);
+ } else { // label 158
+ sprintf(virtual_line, " CIRC\n\0");
+ output->append_line(virtual_line);
+ }
+ // label 160
+ double cs0 = 0.25 * cid->vk * cid->vk * cid->vk / acos(0.0);
+ double csch = 0.0, qschu = 0.0, pschu = 0.0, s0mag = 0.0;
+ dcomplex s0 = 0.0 + 0.0 * I;
+ scr0(cid->vk, exri, cid->c1, cid->c1ao, cid->c3, cid->c4);
+ double sqk = cid->vk * cid->vk * exdc;
+ aps(cid->zpv, cid->c4->li, nsph, cid->c1, sqk, cid->gaps);
+ rabas(inpol, cid->c4->li, nsph, cid->c1, cid->tqse, cid->tqspe, cid->tqss, cid->tqsps);
+ if (cid->c4->li != cid->c4->le) {
+ sprintf(virtual_line, " SPHERES; LMX=LI\n\0");
+ output->append_line(virtual_line);
+ }
+ for (int i170 = 1; i170 <= nsph; i170++) {
+ if (cid->c1->iog[i170 - 1] >= i170) {
+ int i = i170 - 1;
+ double albeds = cid->c1->sscs[i] / cid->c1->sexs[i];
+ cid->c1->sqscs[i] *= cid->sqsfi;
+ cid->c1->sqabs[i] *= cid->sqsfi;
+ cid->c1->sqexs[i] *= cid->sqsfi;
+ sprintf(virtual_line, " SPHERE %2d\n\0", i170);
output->append_line(virtual_line);
- }
- for (int i170 = 1; i170 <= nsph; i170++) {
- if (cid->c1->iog[i170 - 1] >= i170) {
- int i = i170 - 1;
- double albeds = cid->c1->sscs[i] / cid->c1->sexs[i];
- cid->c1->sqscs[i] *= cid->sqsfi;
- cid->c1->sqabs[i] *= cid->sqsfi;
- cid->c1->sqexs[i] *= cid->sqsfi;
- sprintf(virtual_line, " SPHERE %2d\n\0", i170);
- output->append_line(virtual_line);
- if (cid->c1->nshl[i] != 1) {
- sprintf(virtual_line, " SIZE=%15.7lE\n\0", cid->c2->vsz[i]);
- output->append_line(virtual_line);
- } else { // label 162
- sprintf(virtual_line, " SIZE=%15.7lE, REFRACTIVE INDEX=%15.7lE%15.7lE\n\0", cid->c2->vsz[i], real(cid->c2->vkt[i]), imag(cid->c2->vkt[i]));
- output->append_line(virtual_line);
- }
- // label 164
- sprintf(virtual_line, " ----- SCS ----- ABS ----- EXS ----- ALBEDS --\n\0");
- output->append_line(virtual_line);
- sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0", cid->c1->sscs[i], cid->c1->sabs[i], cid->c1->sexs[i], albeds);
- output->append_line(virtual_line);
- sprintf(virtual_line, " ---- SCS/GS -- ABS/GS -- EXS/GS ---\n\0");
- output->append_line(virtual_line);
- sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", cid->c1->sqscs[i], cid->c1->sqabs[i], cid->c1->sqexs[i]);
- output->append_line(virtual_line);
- sprintf(virtual_line, " FSAS=%15.7lE%15.7lE\n\0", real(cid->c1->fsas[i]), imag(cid->c1->fsas[i]));
- output->append_line(virtual_line);
- double alamb = 2.0 * 3.141592653589793 / cid->vk;
- sprintf(virtual_line, "INSERTION: CS_SPHERE %15.7lE%15.7lE%15.7lE%15.7lE\n\0", alamb, cid->c1->sscs[i], cid->c1->sabs[i], cid->c1->sexs[i]);
- output->append_line(virtual_line);
- csch = 2.0 * cid->vk * cid->sqsfi / cid->c1->gcsv[i];
- s0 = cid->c1->fsas[i] * exri;
- qschu = imag(s0) * csch;
- pschu = real(s0) * csch;
- s0mag = cabs(s0) * cs0;
- sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschu, pschu, s0mag);
- output->append_line(virtual_line);
- double rapr = cid->c1->sexs[i] - cid->gaps[i];
- double cosav = cid->gaps[i] / cid->c1->sscs[i];
- sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
+ if (cid->c1->nshl[i] != 1) {
+ sprintf(virtual_line, " SIZE=%15.7lE\n\0", cid->c2->vsz[i]);
output->append_line(virtual_line);
- sprintf(virtual_line, " IPO= 1, TQEk=%15.7lE, TQSk=%15.7lE\n\0", cid->tqse[0][i], cid->tqss[0][i]);
- output->append_line(virtual_line);
- sprintf(virtual_line, " IPO= 2, TQEk=%15.7lE, TQSk=%15.7lE\n\0", cid->tqse[1][i], cid->tqss[1][i]);
+ } else { // label 162
+ sprintf(virtual_line, " SIZE=%15.7lE, REFRACTIVE INDEX=%15.7lE%15.7lE\n\0", cid->c2->vsz[i], real(cid->c2->vkt[i]), imag(cid->c2->vkt[i]));
output->append_line(virtual_line);
}
- } // i170 loop
- sprintf(virtual_line, " FSAT=%15.7lE%15.7lE\n\0", real(cid->c3->tfsas), imag(cid->c3->tfsas));
- output->append_line(virtual_line);
- csch = 2.0 * cid->vk * cid->sqsfi / cid->c3->gcs;
- s0 = cid->c3->tfsas * exri;
- qschu = imag(s0) * csch;
- pschu = real(s0) * csch;
- s0mag = cabs(s0) * cs0;
- sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschu, pschu, s0mag);
- output->append_line(virtual_line);
- // tppoan.write(reinterpret_cast<char *>(&(cid->vk)), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(cid->vk));
- pcrsm0(cid->vk, exri, inpol, cid->c1, cid->c1ao, cid->c4);
- apcra(cid->zpv, cid->c4->le, cid->c1ao->am0m, inpol, sqk, cid->gapm, cid->gappm);
+ // label 164
+ sprintf(virtual_line, " ----- SCS ----- ABS ----- EXS ----- ALBEDS --\n\0");
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0", cid->c1->sscs[i], cid->c1->sabs[i], cid->c1->sexs[i], albeds);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " ---- SCS/GS -- ABS/GS -- EXS/GS ---\n\0");
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", cid->c1->sqscs[i], cid->c1->sqabs[i], cid->c1->sqexs[i]);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " FSAS=%15.7lE%15.7lE\n\0", real(cid->c1->fsas[i]), imag(cid->c1->fsas[i]));
+ output->append_line(virtual_line);
+ double alamb = 2.0 * 3.141592653589793 / cid->vk;
+ sprintf(virtual_line, "INSERTION: CS_SPHERE %15.7lE%15.7lE%15.7lE%15.7lE\n\0", alamb, cid->c1->sscs[i], cid->c1->sabs[i], cid->c1->sexs[i]);
+ output->append_line(virtual_line);
+ csch = 2.0 * cid->vk * cid->sqsfi / cid->c1->gcsv[i];
+ s0 = cid->c1->fsas[i] * exri;
+ qschu = imag(s0) * csch;
+ pschu = real(s0) * csch;
+ s0mag = cabs(s0) * cs0;
+ sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschu, pschu, s0mag);
+ output->append_line(virtual_line);
+ double rapr = cid->c1->sexs[i] - cid->gaps[i];
+ double cosav = cid->gaps[i] / cid->c1->sscs[i];
+ sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " IPO= 1, TQEk=%15.7lE, TQSk=%15.7lE\n\0", cid->tqse[0][i], cid->tqss[0][i]);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " IPO= 2, TQEk=%15.7lE, TQSk=%15.7lE\n\0", cid->tqse[1][i], cid->tqss[1][i]);
+ output->append_line(virtual_line);
+ }
+ } // i170 loop
+ sprintf(virtual_line, " FSAT=%15.7lE%15.7lE\n\0", real(cid->c3->tfsas), imag(cid->c3->tfsas));
+ output->append_line(virtual_line);
+ csch = 2.0 * cid->vk * cid->sqsfi / cid->c3->gcs;
+ s0 = cid->c3->tfsas * exri;
+ qschu = imag(s0) * csch;
+ pschu = real(s0) * csch;
+ s0mag = cabs(s0) * cs0;
+ sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschu, pschu, s0mag);
+ output->append_line(virtual_line);
+ // tppoan.write(reinterpret_cast<char *>(&(cid->vk)), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(cid->vk));
+ pcrsm0(cid->vk, exri, inpol, cid->c1, cid->c1ao, cid->c4);
+ apcra(cid->zpv, cid->c4->le, cid->c1ao->am0m, inpol, sqk, cid->gapm, cid->gappm);
#ifdef USE_NVTX
- nvtxRangePop();
+ nvtxRangePop();
#endif
- interval_end = chrono::high_resolution_clock::now();
- elapsed = interval_end - interval_start;
- message = "INFO: average calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n\0";
- logger->log(message);
- interval_start = chrono::high_resolution_clock::now();
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: average calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n\0";
+ logger->log(message);
+ interval_start = chrono::high_resolution_clock::now();
#ifdef USE_NVTX
- nvtxRangePush("Angle loop");
+ nvtxRangePush("Angle loop");
#endif
- double th = sa->th;
- for (int jth486 = 1; jth486 <= sa->nth; jth486++) { // OpenMP portable?
- double ph = sa->ph;
- double cost = 0.0, sint = 0.0, cosp = 0.0, sinp = 0.0;
- for (int jph484 = 1; jph484 <= sa->nph; jph484++) {
- int jw = 0;
- if (sa->nk != 1 || jxi488 <= 1) {
- upvmp(th, ph, 0, cost, sint, cosp, sinp, cid->u, cid->upmp, cid->unmp);
- if (isam >= 0) {
- wmamp(
- 0, cost, sint, cosp, sinp, inpol, cid->c4->le, 0,
- nsph, cid->argi, cid->u, cid->upmp, cid->unmp, cid->c1
+ double th = sa->th;
+ for (int jth486 = 1; jth486 <= sa->nth; jth486++) { // OpenMP portable?
+ double ph = sa->ph;
+ double cost = 0.0, sint = 0.0, cosp = 0.0, sinp = 0.0;
+ for (int jph484 = 1; jph484 <= sa->nph; jph484++) {
+ int jw = 0;
+ if (sa->nk != 1 || jxi488 <= 1) {
+ upvmp(th, ph, 0, cost, sint, cosp, sinp, cid->u, cid->upmp, cid->unmp);
+ if (isam >= 0) {
+ wmamp(
+ 0, cost, sint, cosp, sinp, inpol, cid->c4->le, 0,
+ nsph, cid->argi, cid->u, cid->upmp, cid->unmp, cid->c1
+ );
+ // label 182
+ apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
+ raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
+ jw = 1;
+ }
+ } else { // label 180, NK == 1 AND JXI488 == 1
+ if (isam >= 0) {
+ // label 182
+ apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
+ raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
+ jw = 1;
+ }
+ }
+ // label 184
+ double thsl = sa->ths;
+ double phsph = 0.0;
+ for (int jths = 1; jths <= sa->nths; jths++) {
+ double ths = thsl;
+ int icspnv = 0;
+ if (isam > 1) ths += sa->thsca;
+ if (isam >= 1) {
+ phsph = 0.0;
+ if (ths < 0.0 || ths > 180.0) phsph = 180.0;
+ if (ths < 0.0) ths *= -1.0;
+ if (ths > 180.0) ths = 360.0 - ths;
+ if (phsph != 0.0) icspnv = 1;
+ }
+ // label 186
+ double phs = sa->phs;
+ for (int jphs = 1; jphs <= sa->nphs; jphs++) {
+ double costs = 0.0, sints = 0.0, cosps = 0.0, sinps = 0.0;
+ if (isam >= 1) {
+ phs = sa->ph + phsph;
+ if (phs > 360.0) phs -= 360.0;
+ }
+ // label 188
+ bool goto190 = (sa->nks == 1 && (jxi488 > 1 || jth486 > 1 || jph484 > 1));
+ if (!goto190) {
+ upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, cid->us, cid->upsmp, cid->unsmp);
+ if (isam >= 0)
+ wmamp(
+ 2, costs, sints, cosps, sinps, inpol, cid->c4->le,
+ 0, nsph, cid->args, cid->us, cid->upsmp, cid->unsmp, cid->c1
+ );
+ }
+ // label 190
+ if (sa->nkks != 1 || jxi488 <= 1) {
+ upvsp(
+ cid->u, cid->upmp, cid->unmp, cid->us, cid->upsmp, cid->unsmp, cid->up, cid->un, cid->ups, cid->uns,
+ cid->duk, isq, ibf, cid->scan, cid->cfmp, cid->sfmp, cid->cfsp, cid->sfsp
);
- // label 182
- apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
- raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
- jw = 1;
+ if (isam < 0) {
+ wmasp(
+ cost, sint, cosp, sinp, costs, sints, cosps, sinps,
+ cid->u, cid->up, cid->un, cid->us, cid->ups, cid->uns, isq, ibf, inpol, cid->c4->le,
+ 0, nsph, cid->argi, cid->args, cid->c1
+ );
+ } else { // label 192
+ for (int i193 = 0; i193 < 3; i193++) {
+ cid->up[i193] = cid->upmp[i193];
+ cid->un[i193] = cid->unmp[i193];
+ cid->ups[i193] = cid->upsmp[i193];
+ cid->uns[i193] = cid->unsmp[i193];
+ }
+ }
}
- } else { // label 180, NK == 1 AND JXI488 == 1
- if (isam >= 0) {
- // label 182
+ // label 194
+ if (iavm == 1) crsm1(cid->vk, exri, cid->c1, cid->c1ao, cid->c4, cid->c6);
+ if (isam < 0) {
apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
jw = 1;
}
- }
- // label 184
- double thsl = sa->ths;
- double phsph = 0.0;
- for (int jths = 1; jths <= sa->nths; jths++) {
- double ths = thsl;
- int icspnv = 0;
- if (isam > 1) ths += sa->thsca;
- if (isam >= 1) {
- phsph = 0.0;
- if (ths < 0.0 || ths > 180.0) phsph = 180.0;
- if (ths < 0.0) ths *= -1.0;
- if (ths > 180.0) ths = 360.0 - ths;
- if (phsph != 0.0) icspnv = 1;
- }
- // label 186
- double phs = sa->phs;
- for (int jphs = 1; jphs <= sa->nphs; jphs++) {
- double costs = 0.0, sints = 0.0, cosps = 0.0, sinps = 0.0;
- if (isam >= 1) {
- phs = sa->ph + phsph;
- if (phs > 360.0) phs -= 360.0;
- }
- // label 188
- bool goto190 = (sa->nks == 1 && (jxi488 > 1 || jth486 > 1 || jph484 > 1));
- if (!goto190) {
- upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, cid->us, cid->upsmp, cid->unsmp);
- if (isam >= 0)
- wmamp(
- 2, costs, sints, cosps, sinps, inpol, cid->c4->le,
- 0, nsph, cid->args, cid->us, cid->upsmp, cid->unsmp, cid->c1
- );
- }
- // label 190
- if (sa->nkks != 1 || jxi488 <= 1) {
- upvsp(
- cid->u, cid->upmp, cid->unmp, cid->us, cid->upsmp, cid->unsmp, cid->up, cid->un, cid->ups, cid->uns,
- cid->duk, isq, ibf, cid->scan, cid->cfmp, cid->sfmp, cid->cfsp, cid->sfsp
- );
- if (isam < 0) {
- wmasp(
- cost, sint, cosp, sinp, costs, sints, cosps, sinps,
- cid->u, cid->up, cid->un, cid->us, cid->ups, cid->uns, isq, ibf, inpol, cid->c4->le,
- 0, nsph, cid->argi, cid->args, cid->c1
- );
- } else { // label 192
- for (int i193 = 0; i193 < 3; i193++) {
- cid->up[i193] = cid->upmp[i193];
- cid->un[i193] = cid->unmp[i193];
- cid->ups[i193] = cid->upsmp[i193];
- cid->uns[i193] = cid->unsmp[i193];
- }
+ // label 196
+ // tppoan.write(reinterpret_cast<char *>(&th), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(th));
+ // tppoan.write(reinterpret_cast<char *>(&ph), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(ph));
+ // tppoan.write(reinterpret_cast<char *>(&ths), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(ths));
+ // tppoan.write(reinterpret_cast<char *>(&phs), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(phs));
+ // tppoan.write(reinterpret_cast<char *>(&(cid->scan)), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(cid->scan));
+ if (jaw != 0) {
+ jaw = 0;
+ mextc(cid->vk, exri, cid->c1ao->fsacm, cid->cextlr, cid->cext);
+ // We now have some implicit loops writing to binary
+ for (int i = 0; i < 4; i++) {
+ for (int j = 0; j < 4; j++) {
+ double value = cid->cext[i][j];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
}
}
- // label 194
- if (iavm == 1) crsm1(cid->vk, exri, cid->c1, cid->c1ao, cid->c4, cid->c6);
- if (isam < 0) {
- apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
- raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
- jw = 1;
+ for (int i = 0; i < 2; i++) {
+ double value = cid->c1ao->scscm[i];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = real(cid->c1ao->scscpm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1ao->scscpm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = cid->c1ao->ecscm[i];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = real(cid->c1ao->ecscpm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1ao->ecscpm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
}
- // label 196
- // tppoan.write(reinterpret_cast<char *>(&th), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(th));
- // tppoan.write(reinterpret_cast<char *>(&ph), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(ph));
- // tppoan.write(reinterpret_cast<char *>(&ths), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(ths));
- // tppoan.write(reinterpret_cast<char *>(&phs), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(phs));
- // tppoan.write(reinterpret_cast<char *>(&(cid->scan)), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(cid->scan));
- if (jaw != 0) {
- jaw = 0;
- mextc(cid->vk, exri, cid->c1ao->fsacm, cid->cextlr, cid->cext);
- // We now have some implicit loops writing to binary
- for (int i = 0; i < 4; i++) {
- for (int j = 0; j < 4; j++) {
- double value = cid->cext[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- for (int i = 0; i < 2; i++) {
- double value = cid->c1ao->scscm[i];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->c1ao->scscpm[i]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1ao->scscpm[i]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = cid->c1ao->ecscm[i];
+ for (int i = 0; i < 3; i++) {
+ for (int j = 0; j < 2; j++) {
+ double value = cid->gapm[i][j];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->c1ao->ecscpm[i]);
+ value = real(cid->gappm[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1ao->ecscpm[i]);
+ value = imag(cid->gappm[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
}
- for (int i = 0; i < 3; i++) {
- for (int j = 0; j < 2; j++) {
- double value = cid->gapm[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->gappm[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->gappm[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- sprintf(virtual_line, " CLUSTER (ENSEMBLE AVERAGE, MODE%2d)\n\0", iavm);
- output->append_line(virtual_line);
- int jlr = 2;
- for (int ilr210 = 1; ilr210 <= 2; ilr210++) {
- int ipol = (ilr210 % 2 == 0) ? 1 : -1;
- if (ilr210 == 2) jlr = 1;
- double extsm = cid->c1ao->ecscm[ilr210 - 1];
- double qextm = extsm * cid->sqsfi / cid->c3->gcs;
- double extrm = extsm / cid->c3->ecs;
- double scasm = cid->c1ao->scscm[ilr210 - 1];
- double albdm = scasm / extsm;
- double qscam = scasm * cid->sqsfi / cid->c3->gcs;
- double scarm = scasm / cid->c3->scs;
- double abssm = extsm - scasm;
- double qabsm = abssm * cid->sqsfi / cid->c3->gcs;
- double absrm = abssm / cid->c3->acs;
- double acsecs = cid->c3->acs / cid->c3->ecs;
- if (acsecs >= -1.0e-6 && acsecs <= 1.0e-6) absrm = 1.0;
- dcomplex s0m = cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1] * exri;
- double qschum = imag(s0m) * csch;
- double pschum = real(s0m) * csch;
- double s0magm = cabs(s0m) * cs0;
- double rfinrm = real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / real(cid->c3->tfsas);
- double extcrm = imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / imag(cid->c3->tfsas);
- if (inpol == 0) {
- sprintf(virtual_line, " LIN %2d\n\0", ipol);
- output->append_line(virtual_line);
- } else { // label 206
- sprintf(virtual_line, " CIRC %2d\n\0", ipol);
- output->append_line(virtual_line);
- }
- // label 208
- sprintf(virtual_line, " ----- SCC ----- ABC ----- EXC ----- ALBEDC --\n\0");
- output->append_line(virtual_line);
- sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0", scasm, abssm, extsm, albdm);
- output->append_line(virtual_line);
- sprintf(virtual_line, " --- SCC/TGS - ABC/TGS - EXC/TGS ---\n\0");
- output->append_line(virtual_line);
- sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", qscam, qabsm, qextm);
- output->append_line(virtual_line);
- sprintf(virtual_line, " ---- SCCRT --- ABCRT --- EXCRT ----\n\0");
- output->append_line(virtual_line);
- sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", scarm, absrm, extrm);
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
- ilr210, ilr210, real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]),
- imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]), jlr, ilr210,
- real(cid->c1ao->fsacm[jlr - 1][ilr210 - 1]), imag(cid->c1ao->fsacm[jlr - 1][ilr210 - 1])
- );
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n\0",
- ilr210, ilr210, rfinrm, ilr210, ilr210, extcrm
- );
- output->append_line(virtual_line);
- sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschum, pschum, s0magm);
- output->append_line(virtual_line);
- double rapr = cid->c1ao->ecscm[ilr210 - 1] - cid->gapm[2][ilr210 - 1];
- double cosav = cid->gapm[2][ilr210 - 1] / cid->c1ao->scscm[ilr210 - 1];
- double fz = rapr;
- sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
- output->append_line(virtual_line);
- sprintf(virtual_line, " Fk=%15.7lE\n\0", fz);
+ }
+ sprintf(virtual_line, " CLUSTER (ENSEMBLE AVERAGE, MODE%2d)\n\0", iavm);
+ output->append_line(virtual_line);
+ int jlr = 2;
+ for (int ilr210 = 1; ilr210 <= 2; ilr210++) {
+ int ipol = (ilr210 % 2 == 0) ? 1 : -1;
+ if (ilr210 == 2) jlr = 1;
+ double extsm = cid->c1ao->ecscm[ilr210 - 1];
+ double qextm = extsm * cid->sqsfi / cid->c3->gcs;
+ double extrm = extsm / cid->c3->ecs;
+ double scasm = cid->c1ao->scscm[ilr210 - 1];
+ double albdm = scasm / extsm;
+ double qscam = scasm * cid->sqsfi / cid->c3->gcs;
+ double scarm = scasm / cid->c3->scs;
+ double abssm = extsm - scasm;
+ double qabsm = abssm * cid->sqsfi / cid->c3->gcs;
+ double absrm = abssm / cid->c3->acs;
+ double acsecs = cid->c3->acs / cid->c3->ecs;
+ if (acsecs >= -1.0e-6 && acsecs <= 1.0e-6) absrm = 1.0;
+ dcomplex s0m = cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1] * exri;
+ double qschum = imag(s0m) * csch;
+ double pschum = real(s0m) * csch;
+ double s0magm = cabs(s0m) * cs0;
+ double rfinrm = real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / real(cid->c3->tfsas);
+ double extcrm = imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / imag(cid->c3->tfsas);
+ if (inpol == 0) {
+ sprintf(virtual_line, " LIN %2d\n\0", ipol);
output->append_line(virtual_line);
- double alamb = 2.0 * 3.141592653589793 / cid->vk;
- sprintf(virtual_line, "INSERTION: CSM_CLUSTER %15.7lE%15.7lE%15.7lE%15.7lE\n\0", alamb, scasm, abssm, extsm);
+ } else { // label 206
+ sprintf(virtual_line, " CIRC %2d\n\0", ipol);
output->append_line(virtual_line);
- } // ilr210 loop
- double rmbrif = (real(cid->c1ao->fsacm[0][0]) - real(cid->c1ao->fsacm[1][1])) / real(cid->c1ao->fsacm[0][0]);
- double rmdchr = (imag(cid->c1ao->fsacm[0][0]) - imag(cid->c1ao->fsacm[1][1])) / imag(cid->c1ao->fsacm[0][0]);
- sprintf(virtual_line, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n\0", rmbrif);
+ }
+ // label 208
+ sprintf(virtual_line, " ----- SCC ----- ABC ----- EXC ----- ALBEDC --\n\0");
output->append_line(virtual_line);
- sprintf(virtual_line, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n\0", rmdchr);
+ sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0", scasm, abssm, extsm, albdm);
output->append_line(virtual_line);
- }
- // label 212
- sprintf(virtual_line, "********** JTH =%3d, JPH =%3d, JTHS =%3d, JPHS =%3d ********************\n\0", jth486, jph484, jths, jphs);
+ sprintf(virtual_line, " --- SCC/TGS - ABC/TGS - EXC/TGS ---\n\0");
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", qscam, qabsm, qextm);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " ---- SCCRT --- ABCRT --- EXCRT ----\n\0");
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " %14.7lE%15.7lE%15.7lE\n\0", scarm, absrm, extrm);
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
+ ilr210, ilr210, real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]),
+ imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]), jlr, ilr210,
+ real(cid->c1ao->fsacm[jlr - 1][ilr210 - 1]), imag(cid->c1ao->fsacm[jlr - 1][ilr210 - 1])
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n\0",
+ ilr210, ilr210, rfinrm, ilr210, ilr210, extcrm
+ );
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0", qschum, pschum, s0magm);
+ output->append_line(virtual_line);
+ double rapr = cid->c1ao->ecscm[ilr210 - 1] - cid->gapm[2][ilr210 - 1];
+ double cosav = cid->gapm[2][ilr210 - 1] / cid->c1ao->scscm[ilr210 - 1];
+ double fz = rapr;
+ sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " Fk=%15.7lE\n\0", fz);
+ output->append_line(virtual_line);
+ double alamb = 2.0 * 3.141592653589793 / cid->vk;
+ sprintf(virtual_line, "INSERTION: CSM_CLUSTER %15.7lE%15.7lE%15.7lE%15.7lE\n\0", alamb, scasm, abssm, extsm);
+ output->append_line(virtual_line);
+ } // ilr210 loop
+ double rmbrif = (real(cid->c1ao->fsacm[0][0]) - real(cid->c1ao->fsacm[1][1])) / real(cid->c1ao->fsacm[0][0]);
+ double rmdchr = (imag(cid->c1ao->fsacm[0][0]) - imag(cid->c1ao->fsacm[1][1])) / imag(cid->c1ao->fsacm[0][0]);
+ sprintf(virtual_line, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n\0", rmbrif);
output->append_line(virtual_line);
- sprintf(virtual_line, " TIDG=%10.3lE, PIDG=%10.3lE, TSDG=%10.3lE, PSDG=%10.3lE\n\0", th, ph, ths, phs);
+ sprintf(virtual_line, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n\0", rmdchr);
output->append_line(virtual_line);
- sprintf(virtual_line, " SCAND=%10.3lE\n\0", cid->scan);
+ }
+ // label 212
+ sprintf(virtual_line, "********** JTH =%3d, JPH =%3d, JTHS =%3d, JPHS =%3d ********************\n\0", jth486, jph484, jths, jphs);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " TIDG=%10.3lE, PIDG=%10.3lE, TSDG=%10.3lE, PSDG=%10.3lE\n\0", th, ph, ths, phs);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " SCAND=%10.3lE\n\0", cid->scan);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " CFMP=%15.7lE, SFMP=%15.7lE\n\0", cid->cfmp, cid->sfmp);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " CFSP=%15.7lE, SFSP=%15.7lE\n\0", cid->cfsp, cid->sfsp);
+ output->append_line(virtual_line);
+ if (isam >= 0) {
+ sprintf(virtual_line, " UNI=(%12.5lE,%12.5lE,%12.5lE)\n\0", cid->un[0], cid->un[1], cid->un[2]);
output->append_line(virtual_line);
- sprintf(virtual_line, " CFMP=%15.7lE, SFMP=%15.7lE\n\0", cid->cfmp, cid->sfmp);
+ sprintf(virtual_line, " UNS=(%12.5lE,%12.5lE,%12.5lE)\n\0", cid->uns[0], cid->uns[1], cid->uns[2]);
output->append_line(virtual_line);
- sprintf(virtual_line, " CFSP=%15.7lE, SFSP=%15.7lE\n\0", cid->cfsp, cid->sfsp);
+ } else { // label 214
+ sprintf(virtual_line, " UN=(%12.5lE,%12.5lE,%12.5lE)\n\n\0", cid->un[0], cid->un[1], cid->un[2]);
output->append_line(virtual_line);
- if (isam >= 0) {
- sprintf(virtual_line, " UNI=(%12.5lE,%12.5lE,%12.5lE)\n\0", cid->un[0], cid->un[1], cid->un[2]);
- output->append_line(virtual_line);
- sprintf(virtual_line, " UNS=(%12.5lE,%12.5lE,%12.5lE)\n\0", cid->uns[0], cid->uns[1], cid->uns[2]);
- output->append_line(virtual_line);
- } else { // label 214
- sprintf(virtual_line, " UN=(%12.5lE,%12.5lE,%12.5lE)\n\n\0", cid->un[0], cid->un[1], cid->un[2]);
+ }
+ // label 220
+ if (inpol == 0) {
+ sprintf(virtual_line, " LIN\n\0");
+ output->append_line(virtual_line);
+ } else { // label 222
+ sprintf(virtual_line, " CIRC\n\0");
+ output->append_line(virtual_line);
+ }
+ // label 224
+ scr2(cid->vk, vkarg, exri, cid->duk, cid->c1, cid->c1ao, cid->c3, cid->c4);
+ if (cid->c4->li != cid->c4->le) {
+ sprintf(virtual_line, " SPHERES; LMX=MIN0(LI,LE)\n\0");
+ output->append_line(virtual_line);
+ }
+ for (int i226 = 1; i226 <= nsph; i226++) {
+ if (cid->c1->iog[i226 - 1] >= i226) {
+ sprintf(virtual_line, " SPHERE %2d\n\0", i226);
output->append_line(virtual_line);
- }
- // label 220
- if (inpol == 0) {
- sprintf(virtual_line, " LIN\n\0");
+ sprintf(
+ virtual_line, " SAS(1,1)=%15.7lE%15.7lE, SAS(2,1)=%15.7lE%15.7lE\n\0",
+ real(cid->c1->sas[i226 - 1][0][0]), imag(cid->c1->sas[i226 - 1][0][0]),
+ real(cid->c1->sas[i226 - 1][1][0]), imag(cid->c1->sas[i226 - 1][1][0])
+ );
output->append_line(virtual_line);
- } else { // label 222
- sprintf(virtual_line, " CIRC\n\0");
+ sprintf(
+ virtual_line, " SAS(1,2)=%15.7lE%15.7lE, SAS(2,2)=%15.7lE%15.7lE\n\0",
+ real(cid->c1->sas[i226 - 1][0][1]), imag(cid->c1->sas[i226 - 1][0][1]),
+ real(cid->c1->sas[i226 - 1][1][1]), imag(cid->c1->sas[i226 - 1][1][1])
+ );
output->append_line(virtual_line);
- }
- // label 224
- scr2(cid->vk, vkarg, exri, cid->duk, cid->c1, cid->c1ao, cid->c3, cid->c4);
- if (cid->c4->li != cid->c4->le) {
- sprintf(virtual_line, " SPHERES; LMX=MIN0(LI,LE)\n\0");
+ for (int j225 = 0; j225 < 16; j225++) {
+ cid->c1->vint[j225] = cid->c1->vints[i226 - 1][j225];
+ } // j225 loop
+ mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
+ sprintf(virtual_line, " MULS\n\0");
output->append_line(virtual_line);
- }
- for (int i226 = 1; i226 <= nsph; i226++) {
- if (cid->c1->iog[i226 - 1] >= i226) {
- sprintf(virtual_line, " SPHERE %2d\n\0", i226);
- output->append_line(virtual_line);
+ for (int i1 = 0; i1 < 4; i1++) {
sprintf(
- virtual_line, " SAS(1,1)=%15.7lE%15.7lE, SAS(2,1)=%15.7lE%15.7lE\n\0",
- real(cid->c1->sas[i226 - 1][0][0]), imag(cid->c1->sas[i226 - 1][0][0]),
- real(cid->c1->sas[i226 - 1][1][0]), imag(cid->c1->sas[i226 - 1][1][0])
+ virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
+ cid->cmul[i1][0], cid->cmul[i1][1], cid->cmul[i1][2], cid->cmul[i1][3]
);
output->append_line(virtual_line);
+ } // i1 loop
+ sprintf(virtual_line, " MULSLR\n\0");
+ output->append_line(virtual_line);
+ for (int i1 = 0; i1 < 4; i1++) {
sprintf(
- virtual_line, " SAS(1,2)=%15.7lE%15.7lE, SAS(2,2)=%15.7lE%15.7lE\n\0",
- real(cid->c1->sas[i226 - 1][0][1]), imag(cid->c1->sas[i226 - 1][0][1]),
- real(cid->c1->sas[i226 - 1][1][1]), imag(cid->c1->sas[i226 - 1][1][1])
+ virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
+ cid->cmullr[i1][0], cid->cmullr[i1][1], cid->cmullr[i1][2], cid->cmullr[i1][3]
);
output->append_line(virtual_line);
- for (int j225 = 0; j225 < 16; j225++) {
- cid->c1->vint[j225] = cid->c1->vints[i226 - 1][j225];
- } // j225 loop
- mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
- sprintf(virtual_line, " MULS\n\0");
- output->append_line(virtual_line);
- for (int i1 = 0; i1 < 4; i1++) {
- sprintf(
- virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
- cid->cmul[i1][0], cid->cmul[i1][1], cid->cmul[i1][2], cid->cmul[i1][3]
- );
- output->append_line(virtual_line);
- } // i1 loop
- sprintf(virtual_line, " MULSLR\n\0");
- output->append_line(virtual_line);
- for (int i1 = 0; i1 < 4; i1++) {
- sprintf(
- virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
- cid->cmullr[i1][0], cid->cmullr[i1][1], cid->cmullr[i1][2], cid->cmullr[i1][3]
- );
- output->append_line(virtual_line);
- } // i1 loop
- }
- } // i226 loop
- sprintf(
- virtual_line, " SAT(1,1)=%15.7lE%15.7lE, SAT(2,1)=%15.7lE%15.7lE\n\0",
- real(cid->c3->tsas[0][0]), imag(cid->c3->tsas[0][0]),
- real(cid->c3->tsas[1][0]), imag(cid->c3->tsas[1][0])
- );
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " SAT(1,2)=%15.7lE%15.7lE, SAT(2,2)=%15.7lE%15.7lE\n\0",
- real(cid->c3->tsas[0][1]), imag(cid->c3->tsas[0][1]),
- real(cid->c3->tsas[1][1]), imag(cid->c3->tsas[1][1])
- );
- output->append_line(virtual_line);
- sprintf(virtual_line, " CLUSTER\n\0");
- output->append_line(virtual_line);
- pcros(cid->vk, exri, cid->c1, cid->c1ao, cid->c4);
- mextc(cid->vk, exri, cid->c1ao->fsac, cid->cextlr, cid->cext);
- mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
- if (jw != 0) {
- jw = 0;
- // Some implicit loops writing to binary.
- for (int i = 0; i < 4; i++) {
- for (int j = 0; j < 4; j++) {
- double value = cid->cext[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
+ } // i1 loop
+ }
+ } // i226 loop
+ sprintf(
+ virtual_line, " SAT(1,1)=%15.7lE%15.7lE, SAT(2,1)=%15.7lE%15.7lE\n\0",
+ real(cid->c3->tsas[0][0]), imag(cid->c3->tsas[0][0]),
+ real(cid->c3->tsas[1][0]), imag(cid->c3->tsas[1][0])
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " SAT(1,2)=%15.7lE%15.7lE, SAT(2,2)=%15.7lE%15.7lE\n\0",
+ real(cid->c3->tsas[0][1]), imag(cid->c3->tsas[0][1]),
+ real(cid->c3->tsas[1][1]), imag(cid->c3->tsas[1][1])
+ );
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " CLUSTER\n\0");
+ output->append_line(virtual_line);
+ pcros(cid->vk, exri, cid->c1, cid->c1ao, cid->c4);
+ mextc(cid->vk, exri, cid->c1ao->fsac, cid->cextlr, cid->cext);
+ mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
+ if (jw != 0) {
+ jw = 0;
+ // Some implicit loops writing to binary.
+ for (int i = 0; i < 4; i++) {
+ for (int j = 0; j < 4; j++) {
+ double value = cid->cext[i][j];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
}
- for (int i = 0; i < 2; i++) {
- double value = cid->c1ao->scsc[i];
+ }
+ for (int i = 0; i < 2; i++) {
+ double value = cid->c1ao->scsc[i];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = real(cid->c1ao->scscp[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1ao->scscp[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = cid->c1ao->ecsc[i];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = real(cid->c1ao->ecscp[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1ao->ecscp[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ }
+ for (int i = 0; i < 3; i++) {
+ for (int j = 0; j < 2; j++) {
+ double value = cid->gap[i][j];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->c1ao->scscp[i]);
+ value = real(cid->gapp[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1ao->scscp[i]);
+ value = imag(cid->gapp[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = cid->c1ao->ecsc[i];
+ }
+ }
+ for (int i = 0; i < 2; i++) {
+ for (int j = 0; j < 3; j++) {
+ double value = cid->tqce[i][j];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->c1ao->ecscp[i]);
+ value = real(cid->tqcpe[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1ao->ecscp[i]);
+ value = imag(cid->tqcpe[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
}
- for (int i = 0; i < 3; i++) {
- for (int j = 0; j < 2; j++) {
- double value = cid->gap[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->gapp[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->gapp[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- for (int i = 0; i < 2; i++) {
- for (int j = 0; j < 3; j++) {
- double value = cid->tqce[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->tqcpe[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->tqcpe[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- for (int i = 0; i < 2; i++) {
- for (int j = 0; j < 3; j++) {
- double value = cid->tqcs[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = real(cid->tqcps[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->tqcps[i][j]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- for (int i = 0; i < 3; i++) {
- double value = cid->u[i];
+ }
+ for (int i = 0; i < 2; i++) {
+ for (int j = 0; j < 3; j++) {
+ double value = cid->tqcs[i][j];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = cid->up[i];
+ value = real(cid->tqcps[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = cid->un[i];
+ value = imag(cid->tqcps[i][j]);
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
}
}
- // label 254
- for (int i = 0; i < 16; i++) {
- double value = real(cid->c1->vint[i]);
+ for (int i = 0; i < 3; i++) {
+ double value = cid->u[i];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = cid->up[i];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1->vint[i]);
+ value = cid->un[i];
// tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
vtppoanp->append_line(VirtualBinaryLine(value));
}
- for (int i = 0; i < 4; i++) {
- for (int j = 0; j < 4; j++) {
- double value = cid->cmul[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
+ }
+ // label 254
+ for (int i = 0; i < 16; i++) {
+ double value = real(cid->c1->vint[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1->vint[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ }
+ for (int i = 0; i < 4; i++) {
+ for (int j = 0; j < 4; j++) {
+ double value = cid->cmul[i][j];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
}
- int jlr = 2;
- for (int ilr290 = 1; ilr290 <= 2; ilr290++) {
- int ipol = (ilr290 % 2 == 0) ? 1 : -1;
- if (ilr290 == 2) jlr = 1;
- double extsec = cid->c1ao->ecsc[ilr290 - 1];
- double qext = extsec * cid->sqsfi / cid->c3->gcs;
- double extrat = extsec / cid->c3->ecs;
- double scasec = cid->c1ao->scsc[ilr290 - 1];
- double albedc = scasec / extsec;
- double qsca = scasec * cid->sqsfi / cid->c3->gcs;
- double scarat = scasec / cid->c3->scs;
- double abssec = extsec - scasec;
- double qabs = abssec * cid->sqsfi / cid->c3->gcs;
- double absrat = 1.0;
- double ratio = cid->c3->acs / cid->c3->ecs;
- if (ratio < -1.0e-6 || ratio > 1.0e-6) absrat = abssec / cid->c3->acs;
- s0 = cid->c1ao->fsac[ilr290 - 1][ilr290 - 1] * exri;
- double qschu = imag(s0) * csch;
- double pschu = real(s0) * csch;
- s0mag = cabs(s0) * cs0;
- double refinr = real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / real(cid->c3->tfsas);
- double extcor = imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / imag(cid->c3->tfsas);
- if (inpol == 0) {
- sprintf(virtual_line, " LIN %2d\n\0", ipol);
- output->append_line(virtual_line);
- } else { // label 273
- sprintf(virtual_line, " CIRC %2d\n\0", ipol);
- output->append_line(virtual_line);
- }
- // label 275
- sprintf(virtual_line, " ----- SCC ----- ABC ----- EXC ----- ALBEDC --\n\0");
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0",
- scasec, abssec, extsec, albedc
- );
+ }
+ int jlr = 2;
+ for (int ilr290 = 1; ilr290 <= 2; ilr290++) {
+ int ipol = (ilr290 % 2 == 0) ? 1 : -1;
+ if (ilr290 == 2) jlr = 1;
+ double extsec = cid->c1ao->ecsc[ilr290 - 1];
+ double qext = extsec * cid->sqsfi / cid->c3->gcs;
+ double extrat = extsec / cid->c3->ecs;
+ double scasec = cid->c1ao->scsc[ilr290 - 1];
+ double albedc = scasec / extsec;
+ double qsca = scasec * cid->sqsfi / cid->c3->gcs;
+ double scarat = scasec / cid->c3->scs;
+ double abssec = extsec - scasec;
+ double qabs = abssec * cid->sqsfi / cid->c3->gcs;
+ double absrat = 1.0;
+ double ratio = cid->c3->acs / cid->c3->ecs;
+ if (ratio < -1.0e-6 || ratio > 1.0e-6) absrat = abssec / cid->c3->acs;
+ s0 = cid->c1ao->fsac[ilr290 - 1][ilr290 - 1] * exri;
+ double qschu = imag(s0) * csch;
+ double pschu = real(s0) * csch;
+ s0mag = cabs(s0) * cs0;
+ double refinr = real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / real(cid->c3->tfsas);
+ double extcor = imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / imag(cid->c3->tfsas);
+ if (inpol == 0) {
+ sprintf(virtual_line, " LIN %2d\n\0", ipol);
output->append_line(virtual_line);
- sprintf(virtual_line, " --- SCC/TGS - ABC/TGS - EXC/TGS ---\n\0");
+ } else { // label 273
+ sprintf(virtual_line, " CIRC %2d\n\0", ipol);
output->append_line(virtual_line);
- sprintf(
- virtual_line, " %14.7lE%15.7lE%15.7lE\n\0",
- qsca, qabs, qext
- );
+ }
+ // label 275
+ sprintf(virtual_line, " ----- SCC ----- ABC ----- EXC ----- ALBEDC --\n\0");
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " %14.7lE%15.7lE%15.7lE%15.7lE\n\0",
+ scasec, abssec, extsec, albedc
+ );
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " --- SCC/TGS - ABC/TGS - EXC/TGS ---\n\0");
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " %14.7lE%15.7lE%15.7lE\n\0",
+ qsca, qabs, qext
+ );
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " ---- SCCRT --- ABCRT --- EXCRT ----\n\0");
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " %14.7lE%15.7lE%15.7lE\n\0",
+ scarat, absrat, extrat
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
+ ilr290, ilr290, real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]),
+ jlr, ilr290, real(cid->c1ao->fsac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->fsac[jlr - 1][ilr290 - 1])
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " SAC(%1d,%1d)=%15.7lE%15.7lE SAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
+ ilr290, ilr290, real(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]),
+ jlr, ilr290, real(cid->c1ao->sac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->sac[jlr - 1][ilr290 - 1])
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n\0",
+ ilr290, ilr290, refinr, ilr290, ilr290, extcor
+ );
+ output->append_line(virtual_line);
+ sprintf(
+ virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0",
+ qschu, pschu, s0mag
+ );
+ output->append_line(virtual_line);
+ double alamb = 2.0 * 3.141592653589793 / cid->vk;
+ if (ilr290 == 1) {
+ sprintf(virtual_line, "INSERTION: CS1_CLUSTER %9.2lf%9.2lf%9.2lf%9.2lf%9.2lf%13.5lf%13.5lf%13.5lf\n\0", alamb, th, ph, ths, phs, scasec, abssec, extsec);
+ } else if (ilr290 == 2) {
+ sprintf(virtual_line, "INSERTION: CS2_CLUSTER %9.2lf%9.2lf%9.2lf%9.2lf%9.2lf%13.5lf%13.5lf%13.5lf\n\0", alamb, th, ph, ths, phs, scasec, abssec, extsec);
+ }
+ output->append_line(virtual_line);
+ bool goto190 = isam >= 0 && (jths > 1 || jphs > 1);
+ if (!goto190) {
+ cid->gapv[0] = cid->gap[0][ilr290 - 1];
+ cid->gapv[1] = cid->gap[1][ilr290 - 1];
+ cid->gapv[2] = cid->gap[2][ilr290 - 1];
+ double extins = cid->c1ao->ecsc[ilr290 - 1];
+ double scatts = cid->c1ao->scsc[ilr290 - 1];
+ double rapr, cosav, fp, fn, fk, fx, fy, fz;
+ rftr(cid->u, cid->up, cid->un, cid->gapv, extins, scatts, rapr, cosav, fp, fn, fk, fx, fy, fz);
+ sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
output->append_line(virtual_line);
- sprintf(virtual_line, " ---- SCCRT --- ABCRT --- EXCRT ----\n\0");
+ sprintf(virtual_line, " Fl=%15.7lE, Fr=%15.7lE, Fk=%15.7lE\n\0", fp, fn, fk);
output->append_line(virtual_line);
- sprintf(
- virtual_line, " %14.7lE%15.7lE%15.7lE\n\0",
- scarat, absrat, extrat
- );
+ sprintf(virtual_line, " Fx=%15.7lE, Fy=%15.7lE, Fz=%15.7lE\n\0", fx, fy, fz);
output->append_line(virtual_line);
- sprintf(
- virtual_line, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
- ilr290, ilr290, real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]),
- jlr, ilr290, real(cid->c1ao->fsac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->fsac[jlr - 1][ilr290 - 1])
- );
+ cid->tqev[0] = cid->tqce[ilr290 - 1][0];
+ cid->tqev[1] = cid->tqce[ilr290 - 1][1];
+ cid->tqev[2] = cid->tqce[ilr290 - 1][2];
+ cid->tqsv[0] = cid->tqcs[ilr290 - 1][0];
+ cid->tqsv[1] = cid->tqcs[ilr290 - 1][1];
+ cid->tqsv[2] = cid->tqcs[ilr290 - 1][2];
+ double tep, ten, tek, tsp, tsn, tsk;
+ tqr(cid->u, cid->up, cid->un, cid->tqev, cid->tqsv, tep, ten, tek, tsp, tsn, tsk);
+ sprintf(virtual_line, " TQEl=%15.7lE, TQEr=%15.7lE, TQEk=%15.7lE\n\0", tep, ten, tek);
output->append_line(virtual_line);
- sprintf(
- virtual_line, " SAC(%1d,%1d)=%15.7lE%15.7lE SAC(%1d,%1d)=%15.7lE%15.7lE\n\0",
- ilr290, ilr290, real(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]),
- jlr, ilr290, real(cid->c1ao->sac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->sac[jlr - 1][ilr290 - 1])
- );
+ sprintf(virtual_line, " TQSl=%15.7lE, TQSr=%15.7lE, TQSk=%15.7lE\n\0", tsp, tsn, tsk);
output->append_line(virtual_line);
sprintf(
- virtual_line, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n\0",
- ilr290, ilr290, refinr, ilr290, ilr290, extcor
+ virtual_line, " TQEx=%15.7lE, TQEy=%15.7lE, TQEz=%15.7lE\n\0",
+ cid->tqce[ilr290 - 1][0], cid->tqce[ilr290 - 1][1], cid->tqce[ilr290 - 1][2]
);
output->append_line(virtual_line);
sprintf(
- virtual_line, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n\0",
- qschu, pschu, s0mag
+ virtual_line, " TQSx=%15.7lE, TQSy=%15.7lE, TQSz=%15.7lE\n\0",
+ cid->tqcs[ilr290 - 1][0], cid->tqcs[ilr290 - 1][1], cid->tqcs[ilr290 - 1][2]
);
output->append_line(virtual_line);
- double alamb = 2.0 * 3.141592653589793 / cid->vk;
- if (ilr290 == 1) {
- sprintf(virtual_line, "INSERTION: CS1_CLUSTER %9.2lf%9.2lf%9.2lf%9.2lf%9.2lf%13.5lf%13.5lf%13.5lf\n\0", alamb, th, ph, ths, phs, scasec, abssec, extsec);
- } else if (ilr290 == 2) {
- sprintf(virtual_line, "INSERTION: CS2_CLUSTER %9.2lf%9.2lf%9.2lf%9.2lf%9.2lf%13.5lf%13.5lf%13.5lf\n\0", alamb, th, ph, ths, phs, scasec, abssec, extsec);
- }
- output->append_line(virtual_line);
- bool goto190 = isam >= 0 && (jths > 1 || jphs > 1);
- if (!goto190) {
- cid->gapv[0] = cid->gap[0][ilr290 - 1];
- cid->gapv[1] = cid->gap[1][ilr290 - 1];
- cid->gapv[2] = cid->gap[2][ilr290 - 1];
- double extins = cid->c1ao->ecsc[ilr290 - 1];
- double scatts = cid->c1ao->scsc[ilr290 - 1];
- double rapr, cosav, fp, fn, fk, fx, fy, fz;
- rftr(cid->u, cid->up, cid->un, cid->gapv, extins, scatts, rapr, cosav, fp, fn, fk, fx, fy, fz);
- sprintf(virtual_line, " COSAV=%15.7lE, RAPRS=%15.7lE\n\0", cosav, rapr);
- output->append_line(virtual_line);
- sprintf(virtual_line, " Fl=%15.7lE, Fr=%15.7lE, Fk=%15.7lE\n\0", fp, fn, fk);
- output->append_line(virtual_line);
- sprintf(virtual_line, " Fx=%15.7lE, Fy=%15.7lE, Fz=%15.7lE\n\0", fx, fy, fz);
- output->append_line(virtual_line);
- cid->tqev[0] = cid->tqce[ilr290 - 1][0];
- cid->tqev[1] = cid->tqce[ilr290 - 1][1];
- cid->tqev[2] = cid->tqce[ilr290 - 1][2];
- cid->tqsv[0] = cid->tqcs[ilr290 - 1][0];
- cid->tqsv[1] = cid->tqcs[ilr290 - 1][1];
- cid->tqsv[2] = cid->tqcs[ilr290 - 1][2];
- double tep, ten, tek, tsp, tsn, tsk;
- tqr(cid->u, cid->up, cid->un, cid->tqev, cid->tqsv, tep, ten, tek, tsp, tsn, tsk);
- sprintf(virtual_line, " TQEl=%15.7lE, TQEr=%15.7lE, TQEk=%15.7lE\n\0", tep, ten, tek);
- output->append_line(virtual_line);
- sprintf(virtual_line, " TQSl=%15.7lE, TQSr=%15.7lE, TQSk=%15.7lE\n\0", tsp, tsn, tsk);
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " TQEx=%15.7lE, TQEy=%15.7lE, TQEz=%15.7lE\n\0",
- cid->tqce[ilr290 - 1][0], cid->tqce[ilr290 - 1][1], cid->tqce[ilr290 - 1][2]
- );
- output->append_line(virtual_line);
- sprintf(
- virtual_line, " TQSx=%15.7lE, TQSy=%15.7lE, TQSz=%15.7lE\n\0",
- cid->tqcs[ilr290 - 1][0], cid->tqcs[ilr290 - 1][1], cid->tqcs[ilr290 - 1][2]
- );
- output->append_line(virtual_line);
- }
- } //ilr290 loop
- double rbirif = (real(cid->c1ao->fsac[0][0]) - real(cid->c1ao->fsac[1][1])) / real(cid->c1ao->fsac[0][0]);
- double rdichr = (imag(cid->c1ao->fsac[0][0]) - imag(cid->c1ao->fsac[1][1])) / imag(cid->c1ao->fsac[0][0]);
- sprintf(virtual_line, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n\0", rbirif);
+ }
+ } //ilr290 loop
+ double rbirif = (real(cid->c1ao->fsac[0][0]) - real(cid->c1ao->fsac[1][1])) / real(cid->c1ao->fsac[0][0]);
+ double rdichr = (imag(cid->c1ao->fsac[0][0]) - imag(cid->c1ao->fsac[1][1])) / imag(cid->c1ao->fsac[0][0]);
+ sprintf(virtual_line, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n\0", rbirif);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n\0", rdichr);
+ output->append_line(virtual_line);
+ sprintf(virtual_line, " MULC\n\0");
+ output->append_line(virtual_line);
+ for (int i = 0; i < 4; i++) {
+ sprintf(
+ virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
+ cid->cmul[i][0], cid->cmul[i][1], cid->cmul[i][2], cid->cmul[i][3]
+ );
output->append_line(virtual_line);
- sprintf(virtual_line, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n\0", rdichr);
+ }
+ sprintf(virtual_line, " MULCLR\n\0");
+ output->append_line(virtual_line);
+ for (int i = 0; i < 4; i++) {
+ sprintf(
+ virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
+ cid->cmullr[i][0], cid->cmullr[i][1], cid->cmullr[i][2], cid->cmullr[i][3]
+ );
output->append_line(virtual_line);
+ }
+ if (iavm != 0) {
+ mmulc(cid->c1ao->vintm, cid->cmullr, cid->cmul);
+ // Some implicit loops writing to binary.
+ for (int i = 0; i < 16; i++) {
+ double value;
+ value = real(cid->c1ao->vintm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ value = imag(cid->c1ao->vintm[i]);
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ }
+ for (int i = 0; i < 4; i++) {
+ for (int j = 0; j < 4; j++) {
+ double value = cid->cmul[i][j];
+ // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
+ vtppoanp->append_line(VirtualBinaryLine(value));
+ }
+ }
+ sprintf(virtual_line, " CLUSTER (ENSEMBLE AVERAGE, MODE%2d)\n\0", iavm);
+ output->append_line(virtual_line);
+ if (inpol == 0) {
+ sprintf(virtual_line, " LIN\n\0");
+ output->append_line(virtual_line);
+ } else { // label 316
+ sprintf(virtual_line, " CIRC\n\0");
+ output->append_line(virtual_line);
+ }
+ // label 318
sprintf(virtual_line, " MULC\n\0");
output->append_line(virtual_line);
for (int i = 0; i < 4; i++) {
@@ -1414,74 +1463,27 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
);
output->append_line(virtual_line);
}
- if (iavm != 0) {
- mmulc(cid->c1ao->vintm, cid->cmullr, cid->cmul);
- // Some implicit loops writing to binary.
- for (int i = 0; i < 16; i++) {
- double value;
- value = real(cid->c1ao->vintm[i]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- value = imag(cid->c1ao->vintm[i]);
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- for (int i = 0; i < 4; i++) {
- for (int j = 0; j < 4; j++) {
- double value = cid->cmul[i][j];
- // tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- vtppoanp->append_line(VirtualBinaryLine(value));
- }
- }
- sprintf(virtual_line, " CLUSTER (ENSEMBLE AVERAGE, MODE%2d)\n\0", iavm);
- output->append_line(virtual_line);
- if (inpol == 0) {
- sprintf(virtual_line, " LIN\n\0");
- output->append_line(virtual_line);
- } else { // label 316
- sprintf(virtual_line, " CIRC\n\0");
- output->append_line(virtual_line);
- }
- // label 318
- sprintf(virtual_line, " MULC\n\0");
- output->append_line(virtual_line);
- for (int i = 0; i < 4; i++) {
- sprintf(
- virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
- cid->cmul[i][0], cid->cmul[i][1], cid->cmul[i][2], cid->cmul[i][3]
- );
- output->append_line(virtual_line);
- }
- sprintf(virtual_line, " MULCLR\n\0");
- output->append_line(virtual_line);
- for (int i = 0; i < 4; i++) {
- sprintf(
- virtual_line, " %15.7lE%15.7lE%15.7lE%15.7lE\n\0",
- cid->cmullr[i][0], cid->cmullr[i][1], cid->cmullr[i][2], cid->cmullr[i][3]
- );
- output->append_line(virtual_line);
- }
- }
- // label 420, continues jphs loop
- if (isam < 1) phs += sa->phsstp;
- } // jphs loop, labeled 480
- if (isam <= 1) thsl += sa->thsstp;
- } // jths loop, labeled 482
- ph += sa->phstp;
- } // jph484 loop
- th += sa->thstp;
- } // jth486 loop
+ }
+ // label 420, continues jphs loop
+ if (isam < 1) phs += sa->phsstp;
+ } // jphs loop, labeled 480
+ if (isam <= 1) thsl += sa->thsstp;
+ } // jths loop, labeled 482
+ ph += sa->phstp;
+ } // jph484 loop
+ th += sa->thstp;
+ } // jth486 loop
#ifdef USE_NVTX
- nvtxRangePop();
+ nvtxRangePop();
#endif
- interval_end = chrono::high_resolution_clock::now();
- elapsed = interval_end - interval_start;
- message = "INFO: angle loop for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
- logger->log(message);
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: angle loop for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
- logger->log("INFO: finished scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");
+ logger->log("INFO: finished scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");
- delete logger;
+ delete logger;
- return jer;
- }
+ return jer;
+}