Commit 1aaea3d6 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Merge branch 'link_with_lapacke' into 'master' 

BUG FIX: reshape C1 common rc field to configuration number

See merge request giacomo.mulas/np_tmcode!23
parents 4d4a311d a5ff64a7

src/libnptm/Commons.cpp

+208 −194
Original line number Original line Diff line number Diff line
@@ -31,15 +31,23 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) { 
  }

  }

  w = new complex<double>*[nlmmt];

  w = new complex<double>*[nlmmt];

  for (int wi = 0; wi < nlmmt; wi++) w[wi] = new complex<double>[4]();

  for (int wi = 0; wi < nlmmt; wi++) w[wi] = new complex<double>[4]();

  int configurations = 0;

  for (int ci = 1; ci <= nsph; ci++) {

    if (_iog[ci - 1] >= ci) configurations++;

  }

  vints = new complex<double>*[nsph];

  vints = new complex<double>*[nsph];

	rc = new double*[nsph];

  rc = new double*[configurations];

	nshl = new int[nsph]();

  nshl = new int[configurations]();

  iog = new int[nsph]();

  iog = new int[nsph]();

  int conf_index = 0;

  for (int vi = 0; vi < nsph; vi++) {

  for (int vi = 0; vi < nsph; vi++) {

		rc[vi] = new double[_nshl[vi]]();

    vints[vi] = new complex<double>[16]();

    vints[vi] = new complex<double>[16]();

		nshl[vi] = _nshl[vi];

    iog[vi] = _iog[vi];

    iog[vi] = _iog[vi];

    if (iog[vi] >= vi + 1) {

      nshl[conf_index] = _nshl[conf_index];

      rc[conf_index] = new double[_nshl[conf_index]]();

      conf_index++;

    }

  }

  }

  fsas = new complex<double>[nsph]();

  fsas = new complex<double>[nsph]();

  sscs = new double[nsph]();

  sscs = new double[nsph]();
@@ -66,11 +74,17 @@ C1::~C1() { 
  delete[] rmi;

  delete[] rmi;

  delete[] rei;

  delete[] rei;

  for (int wi = nlmmt - 1; wi > -1; wi--) delete[] w[wi];

  for (int wi = nlmmt - 1; wi > -1; wi--) delete[] w[wi];

  int conf_index = 0;

  for (int ci = 1; ci <= nsph; ci++) {

    if (iog[ci] >= ci) {

      delete[] rc[conf_index];

      conf_index++;

    }

  }

  delete[] rc;

  for (int vi = nsph - 1; vi > - 1; vi--) {

  for (int vi = nsph - 1; vi > - 1; vi--) {

		delete[] rc[vi];

    delete[] vints[vi];

    delete[] vints[vi];

  }

  }

	delete[] rc;

  delete[] vints;

  delete[] vints;

  for (int si = nsph - 1; si > -1; si--) {

  for (int si = nsph - 1; si > -1; si--) {

    delete[] sas[si][1];

    delete[] sas[si][1];

src/libnptm/Configuration.cpp

+6 −0
Original line number Original line Diff line number Diff line
@@ -1067,6 +1067,12 @@ void ScattererConfiguration::write_formatted(string file_name) { 
					       );

					       );

      break;

      break;

    }

    }

    // Clean memory

    delete[] xi_vec;

    delete[] pu_vec;

    delete[] ev_vec;

    delete[] wn_vec;

    delete[] wl_vec;

  } else { // idfc < 0, Dielectric functions are at XIP and XI is scale for dimensions

  } else { // idfc < 0, Dielectric functions are at XIP and XI is scale for dimensions

    double pu, wn;

    double pu, wn;

    xi_vec = scale_vec;

    xi_vec = scale_vec;