Commit 28ea93f7 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Propagate configuration index control in clu_subs and sph_subs

parent fa46f1a3

src/cluster/cluster.cpp

+5 −3
Original line number Diff line number Diff line
@@ -734,8 +734,8 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
      }

      if (nsh % 2 == 0) cid->c2->dc0[ici] = exdc;

      dme(

	  cid->c4->li, last_configuration, npnt, npntts, vkarg, exdc, exri,

	  cid->c1, cid->c2, jer, lcalc, cid->arg

	  cid->c4->li, i132, npnt, npntts, vkarg, exdc, exri,

	  cid->c1, cid->c2, jer, lcalc, cid->arg, last_configuration

	  );

      if (jer != 0) {

	sprintf(virtual_line, "  STOP IN DME\n");
@@ -816,16 +816,18 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
    sprintf(virtual_line, "     SPHERES; LMX=LI\n");

    output->append_line(virtual_line);

  }

  last_configuration = 0;

  for (int i170 = 1; i170 <= nsph; i170++) {

    if (cid->c1->iog[i170 - 1] >= i170) {

      int i = i170 - 1;

      last_configuration++;

      double albeds = cid->c1->sscs[i] / cid->c1->sexs[i];

      cid->c1->sqscs[i] *= cid->sqsfi;

      cid->c1->sqabs[i] *= cid->sqsfi;

      cid->c1->sqexs[i] *= cid->sqsfi;

      sprintf(virtual_line, "     SPHERE %2d\n", i170);

      output->append_line(virtual_line);

      if (cid->c1->nshl[i] != 1) {

      if (cid->c1->nshl[last_configuration - 1] != 1) {

	sprintf(virtual_line, "  SIZE=%15.7lE\n", cid->c2->vsz[i]);

	output->append_line(virtual_line);

      } else { // label 162

src/include/sph_subs.h

+2 −1
Original line number Diff line number Diff line
@@ -112,10 +112,11 @@ void diel(int npntmo, int ns, int i, int ic, double vk, C1 *c1, C2 *c2); 
 * \param jer: `int &` Reference to integer error code variable.

 * \param lcalc: `int &` Reference to integer variable recording the maximum expansion order accounted for.

 * \param arg: `complex double &`

 * \param last_conf: `int` Last sphere configuration (used by CLUSTER)

 */

void dme(

	 int li, int i, int npnt, int npntts, double vk, double exdc, double exri,

	 C1 *c1, C2 *c2, int &jer, int &lcalc, dcomplex &arg

	 C1 *c1, C2 *c2, int &jer, int &lcalc, dcomplex &arg, int last_conf=0

);



/*! \brief Bessel function calculation control parameters.

src/libnptm/clu_subs.cpp

+6 −3
Original line number Diff line number Diff line
@@ -2439,16 +2439,19 @@ void scr2( 
void str(ScattererConfiguration *sconf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6) {

  dcomplex *ylm;

  const double pi = acos(-1.0);

  int last_configuration;

  c3->gcs = 0.0;

  double gcss = 0.0;

  last_configuration = 0;

  for (int i18 = 1; i18 <= c4->nsph; i18++) {

    int iogi = c1->iog[i18 - 1];

    if (iogi >= i18) {

      gcss = pi * c1->ros[i18 - 1] * c1->ros[i18 - 1];

      last_configuration++;

      gcss = pi * c1->ros[last_configuration - 1] * c1->ros[last_configuration - 1];

      c1->gcsv[i18 - 1] = gcss;

      int nsh = c1->nshl[i18 - 1];

      int nsh = c1->nshl[last_configuration - 1];

      for (int j16 = 1; j16 <= nsh; j16++) {

	c1->rc[i18 - 1][j16 - 1] = sconf->get_rcf(i18 - 1, j16 - 1) * c1->ros[i18 - 1];

	c1->rc[last_configuration - 1][j16 - 1] = sconf->get_rcf(last_configuration - 1, j16 - 1) * c1->ros[last_configuration - 1];

      } // j16 loop

    }

    c3->gcs += gcss;

src/libnptm/sph_subs.cpp

+5 −18
Original line number Diff line number Diff line
@@ -197,20 +197,6 @@ double cg1(int lmpml, int mu, int l, int m) { 
  return result;

}



/*

#ifdef USE_TARGET_OFFLOAD

#pragma omp begin declare target device_type(any)

#endif

dcomplex dconjg(dcomplex z) {

  double zreal = real(z);

  double zimag = imag(z);

  return (zreal - zimag * I);

}

#ifdef USE_TARGET_OFFLOAD

#pragma omp end declare target

#endif

*/



void diel(int npntmo, int ns, int i, int ic, double vk, C1 *c1, C2 *c2) {

  const double dif = c1->rc[i - 1][ns] - c1->rc[i - 1][ns - 1];

  const double half_step = 0.5 * dif / npntmo;
@@ -232,7 +218,7 @@ void diel(int npntmo, int ns, int i, int ic, double vk, C1 *c1, C2 *c2) { 


void dme(

	 int li, int i, int npnt, int npntts, double vk, double exdc, double exri,

	 C1 *c1, C2 *c2, int &jer, int &lcalc, dcomplex &arg

	 C1 *c1, C2 *c2, int &jer, int &lcalc, dcomplex &arg, int last_conf

) {

  const int lipo = li + 1;

  const int lipt = li + 2;
@@ -243,13 +229,14 @@ void dme( 
  dcomplex dfbi, dfb, dfn, ccna, ccnb, ccnc, ccnd;

  dcomplex y1, dy1, y2, dy2, arin, cri;

  const dcomplex uim = 1.0 * I;

  int sph_index = (last_conf == 0) ? i : last_conf;

  jer = 0;

  int nstp = npnt - 1;

  int nstpts = npntts - 1;

  double sz = vk * c1->ros[i - 1];

  double sz = vk * c1->ros[sph_index - 1];

  c2->vsz[i - 1] = sz;

  double vkr1 = vk * c1->rc[i - 1][0];

  int nsh = c1->nshl[i - 1];

  double vkr1 = vk * c1->rc[sph_index - 1][0];

  int nsh = c1->nshl[sph_index - 1];

  c2->vkt[i - 1] = csqrt(c2->dc0[0]);

  arg = vkr1 * c2->vkt[i - 1];

  arin = arg;