clustering  0.12
Clustering suite for molecular dynamics trajectories.
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density_clustering_common.hpp
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1 /*
2 Copyright (c) 2015, Florian Sittel (www.lettis.net)
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25 #pragma once
26 
27 #include "config.hpp"
28 #include "density_clustering.hpp"
29 
36 namespace Clustering {
37  namespace Density {
41  std::vector<std::size_t>
42  initial_density_clustering(const std::vector<float>& free_energy
43  , const Neighborhood& nh
44  , const float free_energy_threshold
45  , const float* coords
46  , const std::size_t n_rows
47  , const std::size_t n_cols
48  , const std::vector<std::size_t> initial_clusters
49 #ifdef DC_USE_MPI
50  , const int mpi_n_nodes
51  , const int mpi_node_id
52 #endif
53  );
54  } // end namespace Density
55 } // end namespace Clustering
56 
Clustering::Tools::Neighborhood Neighborhood
map frame id to neighbors
std::vector< std::size_t > initial_density_clustering(const std::vector< float > &free_energy, const Neighborhood &nh, const float free_energy_threshold, const float *coords, const std::size_t n_rows, const std::size_t n_cols, const std::vector< std::size_t > initial_clusters)