Commit 71e7f35b authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Adapt dc0 vector in ParticlDescriptor for multi-layer aggregate case

parent 109e56c4

src/include/Commons.h

+4 −4
Original line number Diff line number Diff line
@@ -80,12 +80,12 @@ protected: 
  int _nsph;

  //! \brief Maximum internal field expansion order.

  int _li;

  //! \brief Maximum number of layers in known sphere types.

  int _max_layers;

  //! \brief Number of different sphere types.

  int _num_configurations;

  //! \brief Total number of layers from all sphere types.

  int _num_layers;

  //! \brief Space for different sphere types.

  int _nl;

  //! \brief NHSPO = 2 * MAX(NPNT,NPNTTS) - 1

  int _nhspo;

  //! \brief Number of points for numerical integration in layered spheres.
@@ -184,12 +184,12 @@ public: 
  const int &nsph = _nsph;

  //! \brief Read-only view of maximum internal field expansion order.

  const int &li = _li;

  //! \brief Read-only view of the maximum number of layers in types.

  const int &max_layers = _max_layers;

  //! \brief Read-only view of number of different sphere types.

  const int &num_configurations = _num_configurations;

  //! \brief Read-only view of total number of layers from all sphere types.

  const int &num_layers = _num_layers;

  //! \brief Read-only view on the space for different sphere configurations.

  const int &nl = _nl;

  //! \brief Read-only view of NHSPO.

  const int &nhspo = _nhspo;

  //! \brief Read-only view on number of points for numerical integration in layered spheres.

src/libnptm/Commons.cpp

+18 −12
Original line number Diff line number Diff line
@@ -84,7 +84,12 @@ ParticleDescriptor::ParticleDescriptor(GeometryConfiguration *gconf, ScattererCo 
  gcs = 0.0;

  _num_configurations = sconf->configurations;

  _num_layers = (sconf->use_external_sphere) ? 1 : 0;

  for (int nli = 0; nli < num_configurations; nli++) _num_layers += sconf->get_nshl(nli);

  _max_layers = 1;

  for (int nli = 0; nli < num_configurations; nli++) {

    int nl = sconf->get_nshl(nli);

    _num_layers += nl;

    if (nl >  _max_layers) _max_layers = nl;

  }



  vec_rmi = new dcomplex[_li * _nsph]();

  rmi = new dcomplex*[_li];
@@ -131,12 +136,12 @@ ParticleDescriptor::ParticleDescriptor(GeometryConfiguration *gconf, ScattererCo 
  _npntts = gconf->npntts;

  int max_n = (npnt > npntts) ? npnt : npntts;

  _nhspo = 2 * max_n - 1;

  _nl = sconf->configurations;

  if (_nsph == 1 && _nl == 1) _nl = 5;

  // _nl = sconf->configurations;

  // if (_nsph == 1 && _nl == 1) _nl = 5;

  ris = new dcomplex[_nhspo]();

  dlri = new dcomplex[_nhspo]();

  vkt = new dcomplex[_nsph]();

  dc0 = new dcomplex[_nl]();

  dc0 = new dcomplex[_max_layers + 1]();

  vsz = new double[_nsph]();

  

  // >>> NEEDED BY SPHERE AND CLUSTER <<<
@@ -219,6 +224,7 @@ ParticleDescriptor::ParticleDescriptor(const ParticleDescriptor &rhs) { 
  _ndit = rhs._ndit;

  _ndm = rhs._ndm;

  gcs = rhs.gcs;

  _max_layers = rhs._max_layers;

  _num_configurations = rhs._num_configurations;

  _num_layers = rhs._num_layers;
@@ -271,7 +277,7 @@ ParticleDescriptor::ParticleDescriptor(const ParticleDescriptor &rhs) { 
  _npnt = rhs._npnt;

  _npntts = rhs._npntts;

  _nhspo = rhs._nhspo;

  _nl = rhs._nl;

  _max_layers = rhs._max_layers;

  ris = new dcomplex[_nhspo]();

  dlri = new dcomplex[_nhspo]();

  for (int ri = 0; ri < _nhspo; ri++) {
@@ -284,8 +290,8 @@ ParticleDescriptor::ParticleDescriptor(const ParticleDescriptor &rhs) { 
    vkt[vi] = rhs.vkt[vi];

    vsz[vi] = rhs.vsz[vi];

  }

  dc0 = new dcomplex[_nl]();

  for (int di = 0; di < _nl; di++) {

  dc0 = new dcomplex[_max_layers]();

  for (int di = 0; di < _max_layers; di++) {

    dc0[di] = rhs.dc0[di];

  }

  // >>> NEEDED BY SPHERE AND CLUSTER <<<
@@ -416,7 +422,7 @@ ParticleDescriptor::ParticleDescriptor(const mixMPI *mpidata) { 
  MPI_Bcast(&_npnt, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_npntts, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_nhspo, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_nl, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_max_layers, 1, MPI_INT, 0, MPI_COMM_WORLD);

  ris = new dcomplex[_nhspo];

  MPI_Bcast(ris, _nhspo, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  dlri = new dcomplex[_nhspo];
@@ -425,8 +431,8 @@ ParticleDescriptor::ParticleDescriptor(const mixMPI *mpidata) { 
  MPI_Bcast(vkt, _nsph, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  vsz = new double[_nsph];

  MPI_Bcast(vsz, _nsph, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  dc0 = new dcomplex[_nl];

  MPI_Bcast(dc0, _nl, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  dc0 = new dcomplex[_max_layers];

  MPI_Bcast(dc0, _max_layers, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

}



void ParticleDescriptor::mpibcast(const mixMPI *mpidata) {
@@ -466,12 +472,12 @@ void ParticleDescriptor::mpibcast(const mixMPI *mpidata) { 
  MPI_Bcast(&_npnt, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_npntts, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_nhspo, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_nl, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(&_max_layers, 1, MPI_INT, 0, MPI_COMM_WORLD);

  MPI_Bcast(ris, _nhspo, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(dlri, _nhspo, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(vkt, _nsph, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(vsz, _nsph, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(dc0, _nl, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(dc0, _max_layers, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  // >>> NEEDED BY SPHERE AND CLUSTER <<< //

  if (_class_type == SPHERE_TYPE || _class_type == CLUSTER_TYPE) {

    MPI_Bcast(vec_sas, 4 * _nsph, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);