Commit a0d40d53 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Use differential dynamic order settings for inner and outer expansion

parent 74cd3aba

src/cluster/cluster.cpp

+32 −32
Original line number Diff line number Diff line
@@ -747,7 +747,7 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
	+ to_string(jxi488) + " too low (recommended order is " + to_string(recommended_li)

	+ ").\n";

      logger->log(message, LOG_WARN);

    } else {

    } else if (recommended_li < cid->c1->li) {

      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);
@@ -757,13 +757,15 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf 
	+ to_string(jxi488) + " too low (recommended order is " + to_string(recommended_le)

	+ ").\n";

      logger->log(message, LOG_WARN);

    } else {

    } else if (recommended_le < cid->c1->le) {

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

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

      logger->log(message, LOG_INFO);

    }

    if (recommended_li < cid->c1->li || recommended_le < cid->c1->le) {

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

      int new_li = (recommended_li < cid->c1->li) ? recommended_li : cid->c1->li;

      int new_le = (recommended_le < cid->c1->le) ? recommended_le : cid->c1->le;

      cid->update_orders(sconf->_rcf, new_li, new_le);

    }

    cid->refinemode = 2;

  }
@@ -2113,7 +2115,6 @@ int ClusterIterationData::update_orders(double **rcf, int inner_order, int outer 
  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;
@@ -2146,7 +2147,6 @@ int ClusterIterationData::update_orders(double **rcf, int inner_order, int outer 
  for (int ai = 0; ai < ndit; ai++) {

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

  }

  }

  return result;

}

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