diff --git a/src/cluster/cluster.cpp b/src/cluster/cluster.cpp
index 86077177c1c361628db4f5f0beae8cffca3fc6a2..7b0e4a0846cbd9c14be2d48d1f00acd2f7456fca 100644
--- a/src/cluster/cluster.cpp
+++ b/src/cluster/cluster.cpp
@@ -53,7 +53,7 @@ using namespace std;
// I would like to put it all in a struct, but then I'd have to write a constructor for it, due to members defined as references, creating a worse nightmare than the one I'd like to simplify...
-int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, double exri, dcomplex arg, double wn, double vk, Logger *logger);
+int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, dcomplex arg, double wn, double vk, Logger *logger);
/*! \brief C++ implementation of CLU
*
@@ -265,7 +265,7 @@ void cluster(const string& config_file, const string& data_file, const string& o
// do the first iteration on jxi488 separately, since it seems to be different from the others
int jxi488 = 1;
chrono::time_point<chrono::high_resolution_clock> start_iter_1 = chrono::high_resolution_clock::now();
- int jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, c1, c1ao, c2, c3, c4, c6, c9, output, output_path, gaps, tqse, tqspe, tqss, tqsps, zpv, gapm, gappm, argi, args, gap, gapp, tqce, tqcpe, tqcs, tqcps, duk, tppoan, cextlr, cext, cmullr, cmul, gapv, tqev, tqsv, u, us, un, uns, up, ups, unmp, unsmp, upmp, upsmp, scan, cfmp, sfmp, cfsp, sfsp, sqsfi, exri, arg, wn, vk, logger);
+ int jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, c1, c1ao, c2, c3, c4, c6, c9, output, output_path, gaps, tqse, tqspe, tqss, tqsps, zpv, gapm, gappm, argi, args, gap, gapp, tqce, tqcpe, tqcs, tqcps, duk, tppoan, cextlr, cext, cmullr, cmul, gapv, tqev, tqsv, u, us, un, uns, up, ups, unmp, unsmp, upmp, upsmp, scan, cfmp, sfmp, cfsp, sfsp, sqsfi, arg, wn, vk, logger);
chrono::time_point<chrono::high_resolution_clock> end_iter_1 = chrono::high_resolution_clock::now();
elapsed = end_iter_1 - start_iter_1;
message = "INFO: First iteration took " + to_string(elapsed.count()) + "s.\n";
@@ -285,8 +285,6 @@ void cluster(const string& config_file, const string& data_file, const string& o
if (myompthread == 0) ompnumthreads = omp_get_num_threads();
#endif
// To test parallelism, I will now start feeding this function with "clean" copies of the parameters, so that they will not be changed by previous iterations, and each one will behave as the first one. Define all (empty) variables here, so they have the correct scope, then they get different definitions depending on thread number
- ScattererConfiguration *sconf_2 = NULL;
- GeometryConfiguration *gconf_2 = NULL;
C1 *c1_2 = NULL;
C1_AddOns *c1ao_2 = NULL;
C2 *c2_2 = NULL;
@@ -336,14 +334,11 @@ void cluster(const string& config_file, const string& data_file, const string& o
double cfsp_2 = cfsp;
double sfsp_2 = sfsp;
double sqsfi_2 = sqsfi;
- double exri_2 = exri;
dcomplex arg_2 = arg;
double wn_2 = wn;
double vk_2 = vk;
// for threads other than the 0, create distinct copies of all relevant data, while for thread 0 just define new references / pointers to the original ones
if (myompthread == 0) {
- sconf_2 = sconf;
- gconf_2 = gconf;
c1_2 = c1;
c1ao_2 = c1ao;
c2_2 = c2;
@@ -390,8 +385,6 @@ void cluster(const string& config_file, const string& data_file, const string& o
}
else {
// this is not thread 0, so do create fresh copies of all local variables
- sconf_2 = new ScattererConfiguration(*sconf);
- gconf_2 = new GeometryConfiguration(*gconf);
c1_2 = new C1(*c1);
c1ao_2 = new C1_AddOns(*c1ao);
c2_2 = new C2(*c2);
@@ -520,14 +513,12 @@ void cluster(const string& config_file, const string& data_file, const string& o
// ok, now I can actually start the parallel calculations
#pragma omp for
for (jxi488 = 2; jxi488 <= nxi; jxi488++) {
- int jer = cluster_jxi488_cycle(jxi488, sconf_2, gconf_2, p_scattering_angles, c1_2, c1ao_2, c2_2, c3_2, c4_2, c6_2, c9_2, output_2, output_path, gaps_2, tqse_2, tqspe_2, tqss_2, tqsps_2, zpv_2, gapm_2, gappm_2, argi_2, args_2, gap_2, gapp_2, tqce_2, tqcpe_2, tqcs_2, tqcps_2, duk_2, tppoan_2, cextlr_2, cext_2, cmullr_2, cmul_2, gapv_2, tqev_2, tqsv_2, u_2, us_2, un_2, uns_2, up_2, ups_2, unmp_2, unsmp_2, upmp_2, upsmp_2, scan_2, cfmp_2, sfmp_2, cfsp_2, sfsp_2, sqsfi_2, exri_2, arg_2, wn_2, vk_2, logger);
+ int jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, c1_2, c1ao_2, c2_2, c3_2, c4_2, c6_2, c9_2, output_2, output_path, gaps_2, tqse_2, tqspe_2, tqss_2, tqsps_2, zpv_2, gapm_2, gappm_2, argi_2, args_2, gap_2, gapp_2, tqce_2, tqcpe_2, tqcs_2, tqcps_2, duk_2, tppoan_2, cextlr_2, cext_2, cmullr_2, cmul_2, gapv_2, tqev_2, tqsv_2, u_2, us_2, un_2, uns_2, up_2, ups_2, unmp_2, unsmp_2, upmp_2, upsmp_2, scan_2, cfmp_2, sfmp_2, cfsp_2, sfsp_2, sqsfi_2, arg_2, wn_2, vk_2, logger);
}
#pragma omp barrier
// only threads different from 0 have to free local copies of variables and close local files
if (myompthread != 0) {
- delete sconf_2;
- delete gconf_2;
delete c1_2;
delete c1ao_2;
delete c2_2;
@@ -744,7 +735,7 @@ void cluster(const string& config_file, const string& data_file, const string& o
}
-int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, double exri, dcomplex arg, double wn, double vk, Logger *logger)
+int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, dcomplex arg, double wn, double vk, Logger *logger)
{
int nxi = (int)sconf->get_param("nxi");
logger->log("INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");
@@ -770,6 +761,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
fprintf(output, "========== JXI =%3d ====================\n", jxi488);
double xi = sconf->get_scale(jxi488 - 1);
double exdc = sconf->get_param("exdc");
+ double exri = sqrt(exdc);
int idfc = (int)sconf->get_param("idfc");
double vkarg = 0.0;
if (idfc >= 0) {