Commit 6172baec authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Merge branch 'test_parallel_execution' into 'master' 

Test parallel execution

See merge request giacomo.mulas/np_tmcode!26
parents 43ccc2f4 99990106

src/Makefile

+7 −3
Changes for src/Makefile: 7 added lines, 3 removed lines.
Original line number Diff line number Diff line
@@ -8,9 +8,13 @@ ifndef BUILDDIR_NPTM 
override BUILDDIR_NPTM=$(BUILDDIR)/libnptm

endif

ifndef LIBNPTM

# choose one of the two following lines, depending on whether a static or dynamic libnptm is wanted

#override LIBNPTM=$(BUILDDIR_NPTM)/libnptm.a

ifdef STATIC_NPTM

override LIBNPTM=$(BUILDDIR_NPTM)/libnptm.a

override STATICFLAG="-lsz -lz -laec -static"

else

override LIBNPTM=$(BUILDDIR_NPTM)/libnptm.so

override STATICFLAG=""

endif

endif

DOCSDIR=$(SRCDIR)/../doc
@@ -28,7 +32,7 @@ $(LIBNPTM): 
	BUILDDIR=$(BUILDDIR) BUILDDIR_NPTM=$(BUILDDIR_NPTM) LIBNPTM=$(LIBNPTM) $(MAKE) -C libnptm $@



$(SUBDIRS): $(BUILDDIR) $(LIBNPTM)

	BUILDDIR=$(BUILDDIR) BUILDDIR_NPTM=$(BUILDDIR_NPTM) LIBNPTM=$(LIBNPTM) $(MAKE) -C $@

	BUILDDIR=$(BUILDDIR) BUILDDIR_NPTM=$(BUILDDIR_NPTM) LIBNPTM=$(LIBNPTM) STATICFLAG=$(STATICFLAG) $(MAKE) -C $@



clean: $(BUILDDIR)

	BUILDDIR=$(BUILDDIR) $(MAKE) -C cluster clean

src/cluster/cluster.cpp

+40 −33
Changes for src/cluster/cluster.cpp: 40 added lines, 33 removed lines.
Original line number Diff line number Diff line
@@ -20,6 +20,10 @@ 
#include "../include/errors.h"

#endif



#ifndef INCLUDE_LOGGING_H_

#include "../include/logging.h"

#endif



#ifndef INCLUDE_CONFIGURATION_H_

#include "../include/Configuration.h"

#endif
@@ -48,7 +52,7 @@ 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, 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, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, 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, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, 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, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf);

int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, 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, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, 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, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, 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, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf, Logger *logger);



/*! \brief C++ implementation of CLU

 *
@@ -57,13 +61,15 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
 *  \param output_path: `string` Directory to write the output files in.

 */

void cluster(string config_file, string data_file, string output_path) {

  printf("INFO: making legacy configuration...");

  Logger *logger = new Logger(LOG_INFO);

  logger->log("INFO: making legacy configuration...", LOG_INFO);

  ScattererConfiguration *sconf = NULL;

  try {

    sconf = ScattererConfiguration::from_dedfb(config_file);

  } catch(const OpenConfigurationFileException &ex) {

    printf("\nERROR: failed to open scatterer configuration file.\n");

    printf("FILE: %s\n", ex.what());

    logger->err("\nERROR: failed to open scatterer configuration file.\n");

    string message = "FILE: " + string(ex.what()) + "\n";

    logger->err(message);

    exit(1);

  }

  sconf->write_formatted(output_path + "/c_OEDFB");
@@ -73,12 +79,13 @@ void cluster(string config_file, string data_file, string output_path) { 
  try {

    gconf = GeometryConfiguration::from_legacy(data_file);

  } catch (const OpenConfigurationFileException &ex) {

    printf("\nERROR: failed to open geometry configuration file.\n");

    printf("FILE: %s\n", ex.what());

    logger->err("\nERROR: failed to open geometry configuration file.\n");

    string message = "FILE: " + string(ex.what()) + "\n";

    logger->err(message);

    if (sconf) delete sconf;

    exit(1);

  }

  printf(" done.\n");

  logger->log(" done.\n", LOG_INFO);

  if (sconf->number_of_spheres == gconf->number_of_spheres) {

    // Shortcuts to variables stored in configuration objects

    int nsph = gconf->number_of_spheres;
@@ -278,9 +285,9 @@ void cluster(string config_file, string data_file, string output_path) { 
    tppoan.open(tppoan_name.c_str(), ios::out | ios::binary);

    if (tppoan.is_open()) {

#ifdef USE_LAPACK

      printf("INFO: using LAPACK calls.\n");

      logger->log("INFO: using LAPACK calls.\n", LOG_INFO);

#else

      printf("INFO: using fall-back lucin() calls.\n");

      logger->log("INFO: using fall-back lucin() calls.\n", LOG_INFO);

#endif

      tppoan.write(reinterpret_cast<char *>(&iavm), sizeof(int));

      tppoan.write(reinterpret_cast<char *>(&isam), sizeof(int));
@@ -299,7 +306,7 @@ void cluster(string config_file, string data_file, string output_path) { 
      }

      // do the first iteration on jxi488 separately, since it seems to be different from the others

      int jxi488 = 1;

      jer = cluster_jxi488_cycle(jxi488, sconf, gconf, c1, c1ao, c2, c3, c4, c6, c9, output, output_path, gaps, tqse, tqspe, tqss, tqsps, zpv, gapm, gappm, nth, nths, nph, nphs, nk, nks, nkks, argi, args, gap, gapp, tqce, tqcpe, tqcs, tqcps, duk, tppoan, cextlr, cext, cmullr, cmul, gapv, tqev, tqsv, nxi, nsph, mxndm, inpol, iavm, npnt, npntts, isam, lm, th, thstp, thlst, ths, thsstp, thslst, ph, phstp, phlst, phs, phsstp, phslst, th1, ph1, ths1, phs1, thsca, u, us, un, uns, up, ups, unmp, unsmp, upmp, upsmp, scan, cfmp, sfmp, cfsp, sfsp, sqsfi, exri, lcalc, arg, wn, vk, ndit, am, isq, ibf);

      jer = cluster_jxi488_cycle(jxi488, sconf, gconf, c1, c1ao, c2, c3, c4, c6, c9, output, output_path, gaps, tqse, tqspe, tqss, tqsps, zpv, gapm, gappm, nth, nths, nph, nphs, nk, nks, nkks, argi, args, gap, gapp, tqce, tqcpe, tqcs, tqcps, duk, tppoan, cextlr, cext, cmullr, cmul, gapv, tqev, tqsv, nxi, nsph, mxndm, inpol, iavm, npnt, npntts, isam, lm, th, thstp, thlst, ths, thsstp, thslst, ph, phstp, phlst, phs, phsstp, phslst, th1, ph1, ths1, phs1, thsca, u, us, un, uns, up, ups, unmp, unsmp, upmp, upsmp, scan, cfmp, sfmp, cfsp, sfsp, sqsfi, exri, lcalc, arg, wn, vk, ndit, am, isq, ibf, logger);



      // Create this variable and initialise it with a default here, so that it is defined anyway, with or without OpenMP support enabled

      int ompnumthreads = 1;
@@ -594,7 +601,7 @@ void cluster(string config_file, string data_file, string output_path) { 
	// ok, now I can actually start the parallel calculations

#pragma omp for

	for (jxi488 = 2; jxi488 <= nxi; jxi488++) {

	  jer = cluster_jxi488_cycle(jxi488, sconf_2, gconf_2, 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, nth_2, nths_2, nph_2, nphs_2, nk_2, nks_2, nkks_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, nxi_2, nsph_2, mxndm_2, inpol_2, iavm_2, npnt_2, npntts_2, isam_2, lm_2, th_2, thstp_2, thlst_2, ths_2, thsstp_2, thslst_2, ph_2, phstp_2, phlst_2, phs_2, phsstp_2, phslst_2, th1_2, ph1_2, ths1_2, phs1_2, thsca_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, lcalc_2, arg_2, wn_2, vk_2, ndit_2, am_2, isq_2, ibf_2);

	  jer = cluster_jxi488_cycle(jxi488, sconf_2, gconf_2, 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, nth_2, nths_2, nph_2, nphs_2, nk_2, nks_2, nkks_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, nxi_2, nsph_2, mxndm_2, inpol_2, iavm_2, npnt_2, npntts_2, isam_2, lm_2, th_2, thstp_2, thlst_2, ths_2, thsstp_2, thslst_2, ph_2, phstp_2, phlst_2, phs_2, phsstp_2, phslst_2, th1_2, ph1_2, ths1_2, phs1_2, thsca_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, lcalc_2, arg_2, wn_2, vk_2, ndit_2, am_2, isq_2, ibf_2, logger);

	}



#pragma omp barrier
@@ -613,7 +620,7 @@ void cluster(string config_file, string data_file, string output_path) { 
	  tppoanp_2->close();

	  delete tppoanp_2;

	  delete[] gaps_2;

	  for (int ti = 0; ti <2 -1; ti++) {

	  for (int ti = 0; ti < 2; ti++) {

	    delete[] tqse_2[ti];

	    delete[] tqce_2[ti];

	    delete[] tqcs_2[ti];
@@ -682,7 +689,8 @@ void cluster(string config_file, string data_file, string output_path) { 
	}

#pragma omp barrier

	{

	  printf("Closed thread-local output files of thread %d, syncing threads\n", myompthread);

	  string message = "Closing thread-local output files of thread " + to_string(myompthread) + " and syncing threads.\n";

	  logger->log(message);

	}

      } // closes pragma omp parallel

#ifdef _OPENMP
@@ -692,7 +700,8 @@ void cluster(string config_file, string data_file, string output_path) { 
	for (int ri = 1; ri < ompnumthreads; ri++) {

	  // Giovanni, please add here in this loop code to reopen the temporary files, reread them and append them respectively to the global output and tppoan, before closing them

	  string partial_file_name = output_path + "/c_OCLU_" + to_string(ri);

	  printf("Copying ASCII output of thread %d of %d... ", ri, ompnumthreads - 1);

	  string message = "Copying ASCII output of thread " + to_string(ri) + " of " + to_string(ompnumthreads - 1) + "... ";

	  logger->log(message);

	  FILE *partial_output = fopen(partial_file_name.c_str(), "r");

	  char c = fgetc(partial_output);

	  while (c != EOF) {
@@ -701,12 +710,10 @@ void cluster(string config_file, string data_file, string output_path) { 
	  }

	  fclose(partial_output);

	  remove(partial_file_name.c_str());

	  printf("done.\n");

	  //	}

	  //for (int ri = 1; ri < ompnumthreads; ri++) {

	  //string partial_file_name = output_path + "/c_TPPOAN_" + to_string(ri);

	  logger->log("done.\n");

	  partial_file_name = output_path + "/c_TPPOAN_" + to_string(ri);

	  printf("Copying binary output of thread %d of %d... ", ri, ompnumthreads - 1);

	  message = "Copying binary output of thread " + to_string(ri) + " of " + to_string(ompnumthreads - 1) + "... ";

	  logger->log(message);

	  fstream partial_tppoan;

	  partial_tppoan.open(partial_file_name.c_str(), ios::in | ios::binary);

	  partial_tppoan.seekg(0, ios::end);
@@ -718,14 +725,14 @@ void cluster(string config_file, string data_file, string output_path) { 
	  partial_tppoan.close();

	  delete[] binary_buffer;

	  remove(partial_file_name.c_str());

	  printf("done.\n");

	  logger->log("done.\n");

	}

      }

#endif

      tppoanp->close();

      delete tppoanp;

    } else { // In case TPPOAN could not be opened. Should never happen.

      printf("\nERROR: failed to open TPPOAN file.\n");

      logger->err("\nERROR: failed to open TPPOAN file.\n");

    }

    fclose(output);

    // Clean memory
@@ -740,13 +747,13 @@ void cluster(string config_file, string data_file, string output_path) { 
    delete[] zpv;

    delete c1;

    delete c1ao;

    delete c2;

    delete c3;

    delete c4;

    delete c6;

    delete c9;

    delete[] am_vector;

    delete[] am;

    //delete[] tam;

    delete[] gaps;

    for (int ti = 1; ti > -1; ti--) {

      delete[] tqse[ti];
@@ -809,11 +816,12 @@ void cluster(string config_file, string data_file, string output_path) { 
  }

  delete sconf;

  delete gconf;

  printf("Finished: output written to %s.\n", (output_path + "/c_OCLU").c_str());

  logger->log("Finished: output written to " + output_path + "/c_OCLU\n");

  delete logger;

}





int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, 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, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, 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, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, 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, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf)

int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, 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, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, 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, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, 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, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf, Logger *logger)

{



  // int nxi = sconf->number_of_scales;
@@ -877,8 +885,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
  // int ibf;







  printf("INFO: running scale iteration %d of %d...", jxi488, nxi);

  logger->log("INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");

  int jaw = 1;

  fprintf(output, "========== JXI =%3d ====================\n", jxi488);

  double xi = sconf->scale_vec[jxi488 - 1];
@@ -1272,10 +1279,10 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
		      real(c1->sas[i226 - 1][0][1]), imag(c1->sas[i226 - 1][0][1]),

		      real(c1->sas[i226 - 1][1][1]), imag(c1->sas[i226 - 1][1][1])

		      );

	      for (int j225 = 0; j225 < 16; j225++) { // QUESTION: check that 16 is a fixed dimension

		c1ao->vint[j225] = c1ao->vints[i226 - 1][j225];

	      for (int j225 = 0; j225 < 16; j225++) {

		c1->vint[j225] = c1->vints[i226 - 1][j225];

	      } // j225 loop

	      mmulc(c1ao->vint, cmullr, cmul);

	      mmulc(c1->vint, cmullr, cmul);

	      fprintf(output, "  MULS\n");

	      for (int i1 = 0; i1 < 4; i1++) {

		fprintf(
@@ -1305,7 +1312,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
	  fprintf(output, "     CLUSTER\n");

	  pcros(vk, exri, c1, c1ao, c4);

	  mextc(vk, exri, c1ao->fsac, cextlr, cext);

	  mmulc(c1ao->vint, cmullr, cmul);

	  mmulc(c1->vint, cmullr, cmul);

	  if (jw != 0) {

	    jw = 0;

	    // Some implicit loops writing to binary.
@@ -1370,9 +1377,9 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
	  }

	  // label 254

	  for (int i = 0; i < 16; i++) {

	    double value = real(c1ao->vint[i]);

	    double value = real(c1->vint[i]);

	    tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));

	    value = imag(c1ao->vint[i]);

	    value = imag(c1->vint[i]);

	    tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));

	  }

	  for (int i = 0; i < 4; i++) {
@@ -1553,7 +1560,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
  // delete[] am_vector;

  // delete[] am;



  printf(" done.\n");

  logger->log("INFO: finished scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");



  return jer;

src/include/Commons.h

+24 −20
Changes for src/include/Commons.h: 24 added lines, 20 removed lines.
Original line number Diff line number Diff line
@@ -40,9 +40,18 @@ protected: 
  int nsph;

  //! \brief Maximum order of field expansion.

  int lm;

  //! \brief NLMMT. QUESTION: definition?

  int nlmmt;

  //! \brief Contiguous RMI vector.

  dcomplex *vec_rmi;

  //! \brief Contiguous REI vector.

  dcomplex *vec_rei;

  //! \brief Contiguous W vector.

  dcomplex *vec_w;

  //! \brief Contiguous VINTS vector

  dcomplex *vec_vints;

  

public:

  //! \brief NLMMT = 2 * LM * (LM + 2).

  int nlmmt;

  //! \brief Number of configurations

  int configurations;

  //! \brief QUESTION: definition?
@@ -54,6 +63,8 @@ public: 
  //! \brief QUESTION: definition?

  dcomplex *fsas;

  //! \brief QUESTION: definition?

  dcomplex *vint;

  //! \brief QUESTION: definition?

  dcomplex **vints;

  //! \brief QUESTION: definition?

  double *sscs;
@@ -94,11 +105,13 @@ public: 
   * \param iog: `int *` Vector of spherical units ID numbers.

   */

  C1(int ns, int l_max, int *nshl, int *iog);



  /*! \brief C1 instance constructor copying all contents from a preexisting template

   *

   * \param rhs: `C1` preexisting template.

   */

  C1(const C1& rhs);



  //! \brief C1 instance destroyer.

  ~C1();

};
@@ -107,12 +120,14 @@ public: 
 *

 */

class C2 {

protected:

  //! \brief Number of spheres.

  int nsph;

  //! \brief Number of required orders.

  int nhspo;

  //! \brief QUESTION: what is nl?

  int nl;



public:

  //! \brief QUESTION: definition?

  dcomplex *ris;
@@ -133,6 +148,7 @@ public: 
   * \param npntts: `int`

   */

  C2(int ns, int nl, int npnt, int npntts);



  /*! \brief C2 instance constructor copying its contents from preexisting instance.

   *

   * \param rhs: `C2` object to copy contents from
@@ -163,6 +179,7 @@ public: 
  /*! \brief C3 instance constructor.

   */

  C3();



  /*! \brief C3 instance constructor copying its contents from a preexisting object.

   */

  C3(const C3& rhs);
@@ -237,19 +254,6 @@ protected: 
  //! \brief QUESTION: definition?

  int lm;



  /*! \brief Allocate the necessary common vectors depending on configuration.

   *

   * The size of the vectors and matrices defined in various common

   * blocks, and particularly in C1, depends on many settings of the

   * problem configuration, such as the number of spheres, the number

   * of layers the spheres are made of, the field expansion order and

   * others. This function collects the calculations needed to infer

   * the necessary amount of memory for these configurable elements,

   * thus making the class constructor more compact and easier to handle.

   *

   * \param c4: `C4 *` Pointer to a C4 structure.

   */

  //void allocate_vectors(C4 *c4);

public:

  //! \brief QUESTION: definition?

  dcomplex *vh;
@@ -264,12 +268,8 @@ public: 
  //! \brief QUESTION: definition?

  dcomplex **am0m;

  //! \brief QUESTION: definition?

  dcomplex *vint;

  //! \brief QUESTION: definition?

  dcomplex *vintm;

  //! \brief QUESTION: definition?

  dcomplex **vints;

  //! \brief QUESTION: definition?

  dcomplex *vintt;

  //! \brief QUESTION: definition?

  dcomplex **fsac;
@@ -305,6 +305,7 @@ public: 
   * \param c4: `C4 *` Pointer to a C4 structure.

   */

  C1_AddOns(C4 *c4);



  /*! \brief C1_AddOns instance constructor copying contents from a preexisting object.

   *

   * \param rhs: `C1_AddOns` preexisting object to copy from.
@@ -319,7 +320,7 @@ public: 
 */

class C6 {

public:

  //! \brief QUESTION: definition?

  //! \brief LMTPO = 2 * LM + 1.

  int lmtpo;

  //! \brief QUESTION: definition?

  double *rac3j;
@@ -329,6 +330,7 @@ public: 
   * \param lmtpo: `int` QUESTION: definition?

   */

  C6(int lmtpo);



  /*! \brief C6 instance constructor copying contents from preexisting object.

   *

   * \param lmtpo: `int` QUESTION: definition?
@@ -352,6 +354,7 @@ protected: 
  int nlem;

  //! \brief QUESTION: definition?

  int nlemt;



public:

  //! \brief QUESTION: definition?

  dcomplex **gis;
@@ -368,6 +371,7 @@ public: 
   * \param nlemt: `int` QUESTION: definition?

   */

  C9(int ndi, int nlem, int ndit, int nlemt);



  /*! \brief C9 instance constructor copying contents from preexisting object.

   *

   * \param rhs: `C9` preexisting object to copy from

src/include/Configuration.h

+3 −2
Changes for src/include/Configuration.h: 3 added lines, 2 removed lines.
Original line number Diff line number Diff line
@@ -32,6 +32,7 @@ 


class ScattererConfiguration;

class GeometryConfiguration;

class Logger;

class C1;

class C1_AddOns;

class C2;
@@ -53,7 +54,7 @@ class C9; 
class GeometryConfiguration {

  //! Temporary work-around to allow cluster() and sphere() peeking in.

  friend void cluster(std::string, std::string, std::string);

  friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *,  C3 *,  C4 *,  C6 *,  C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int);

  friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *,  C3 *,  C4 *,  C6 *,  C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int, Logger *);

  friend void sphere(std::string, std::string, std::string);

protected:

  //! \brief Number of spherical components.
@@ -185,7 +186,7 @@ public: 
class ScattererConfiguration {

  //! Temporary work-around to allow cluster() and sphere() peeking in.

  friend void cluster(std::string, std::string, std::string);

  friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *,  C3 *,  C4 *,  C6 *,  C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int);

  friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *,  C3 *,  C4 *,  C6 *,  C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int, Logger *);

  friend void sphere(std::string, std::string, std::string);

protected:

  //! \brief Matrix of dielectric parameters with size [NON_TRANS_LAYERS x N_SPHERES x N_SCALES].

src/include/List.h

+1 −0
Changes for src/include/List.h: 1 added line, 0 removed lines.
Original line number Diff line number Diff line
@@ -73,6 +73,7 @@ public: 
      current = old->p_prev;

      delete old;

    }

    delete current;

  }

  

  /*! \brief Append an element at the end of the List.