Commit 866f3376 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Implement CLUSTER dynamic handling of internal order

parent d80df707

src/cluster/cluster.cpp

+86 −17
Original line number Diff line number Diff line
@@ -19,6 +19,7 @@ 
 * \brief Implementation of the calculation for a cluster of spheres.

 */

#include <chrono>

#include <cmath>

#include <cstdio>

#include <exception>

#include <fstream>
@@ -240,7 +241,7 @@ void cluster(const string& config_file, const string& data_file, const string& o 
      logger->log("INFO: Size of matrices to invert: " + to_string((int64_t)ndit) + " x " + to_string((int64_t)ndit) +".\n");

      time_logger->log("INFO: Size of matrices to invert: " + to_string((int64_t)ndit) + " x " + to_string((int64_t)ndit) +".\n");



      str(sconf, cid->c1);

      str(sconf->_rcf, cid->c1);

      thdps(cid->c1->lm, cid->zpv);

      double exdc = sconf->exdc;

      double exri = sqrt(exdc);
@@ -680,6 +681,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
{

  int nxi = sconf->number_of_scales;

  const dcomplex cc0 = 0.0 + I * 0.0;

  const double pi = acos(-1.0);

  char virtual_line[256];

  string message = "INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n";

  Logger *logger = new Logger(LOG_DEBG);
@@ -689,24 +691,24 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
  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 = sconf->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->isam;

  int jwtm = gconf->jwtm;

  np_int ndit = 2 * nsph * cid->c1->nlim;

  // int li = gconf->li;

  // int le = gconf->le;

  // int lm = 0;

  // if (le > lm) lm = le;

  // if (li > lm) lm = li;

  const int nsph = sconf->number_of_spheres;

  const np_int mxndm = gconf->mxndm;

  const int iavm = gconf->iavm;

  const int inpol = gconf->in_pol;

  const int npnt = gconf->npnt;

  const int npntts = gconf->npntts;

  const int isam = gconf->isam;

  const int jwtm = gconf->jwtm;

  // np_int ndit = 2 * nsph * cid->c1->nlim;

  int isq, ibf;

  int last_configuration;

  int num_configs = sconf->configurations;

  int ndirs = sa->nkks;

  const int ndirs = sa->nkks;

  int oindex = -1;

  int jindex = jxi488 - output->first_xi + 1;
@@ -716,7 +718,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
  double xi = sconf->get_scale(jxi488 - 1);

  double exdc = sconf->exdc;

  double exri = sqrt(exdc);

  int idfc = (int)sconf->idfc;

  const int idfc = (int)sconf->idfc;

  double vkarg = 0.0;

  if (idfc >= 0) {

    cid->vk = xi * cid->wn;
@@ -729,6 +731,29 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
    output->vec_vk[jindex - 1] = cid->vk;

    output->vec_xi[jindex - 1] = xi;

  }

  // Dynamic order check

  const double alamb = 2.0 * pi / cid->vk;

  double size_par = 2.0 * pi * sqrt(exdc) * sconf->get_radius(0) / alamb;

  int recommended_li = 4 + (int)ceil(size_par + 4.05 * pow(size_par, 1.0 / 3.0));

  if (recommended_li != cid->c1->li) {

    if (recommended_li > cid->c1->li) {

      message = "WARNING: internal order " + to_string(cid->c1->li) + " for scale iteration "

	+ to_string(jxi488) + " too low (recommended order is " + to_string(recommended_li)

	+ ").\n";

      logger->log(message, LOG_WARN);

    } else {

      message = "INFO: lowering internal order from " + to_string(cid->c1->li) + " to "

	+ to_string(recommended_li) + " for scale iteration " + to_string(jxi488) + ".\n";

      logger->log(message, LOG_INFO);

      cid->update_orders(sconf->_rcf, recommended_li, recommended_li);

    }

    cid->refinemode = 2;

  }

  int li = cid->c1->li;

  int le = cid->c1->le;

  int lm = cid->c1->lm;

  np_int ndit = 2 * nsph * cid->c1->nlim;

  // End of dynamic order check

  hjv(exri, vkarg, jer, lcalc, cid->arg, cid->c1);

  if (jer != 0) {

    output->vec_ier[jindex - 1] = 1;
@@ -837,6 +862,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
    }

  }

#endif

  cid->refinemode = 0;

#ifdef DEBUG_AM

  VirtualAsciiFile *outam2 = new VirtualAsciiFile();

  string outam2_name = output_path + "/c_AM2_JXI" + to_string(jxi488) + ".txt";
@@ -2062,4 +2088,47 @@ ClusterIterationData::~ClusterIterationData() { 
  delete[] cmullr;

  delete[] cmul;

}



int ClusterIterationData::update_orders(double **rcf, int inner_order, int outer_order) {

  int result = 0;

  int old_li = c1->li;

  int old_le = c1->le;

  int old_lm = c1->lm;

  np_int old_ndit = 2 * c1->nsph * c1->nlim;

  if (inner_order != old_li || outer_order != old_le) {

    ((ParticleDescriptorCluster *)c1)->update_orders(inner_order, outer_order);

    const int ndi = c1->nsph * c1->nlim;

    const np_int ndit = 2 * ndi;

    for (int zi = 0; zi < old_lm; zi++) {

      for (int zj = 0; zj < 3; zj++) {

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

	  delete[] zpv[zi][zj][zk];

	}

	delete[] zpv[zi][zj];

      }

      delete[] zpv[zi];

    }

    delete[] zpv;

    zpv = new double***[c1->lm];

    for (int zi = 0; zi < c1->lm; zi++) {

      zpv[zi] = new double**[3];

      for (int zj = 0; zj < 3; zj++) {

	zpv[zi][zj] = new double*[2];

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

	  zpv[zi][zj][zk] = new double[2]();

	}

      }

    }

    str(rcf, c1);

    thdps(c1->lm, zpv);

    delete[] am;

    delete[] am_vector;

    am_vector = new dcomplex[ndit * ndit]();

    am = new dcomplex*[ndit];

    for (int ai = 0; ai < ndit; ai++) {

      am[ai] = (am_vector + ai * ndit);

    }

  }

  return result;

}

// >>> END OF ClusterIterationData CLASS IMPLEMENTATION <<<