44 lines
977 B
C++
44 lines
977 B
C++
// -*- c++ -*-
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#ifndef COLVARBIAS_HISTOGRAM_H
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#define COLVARBIAS_HISTOGRAM_H
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#include <vector>
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#include <list>
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#include <sstream>
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#include <iomanip>
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#include "colvarbias.h"
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#include "colvargrid.h"
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/// Histogram "bias" (does as the name says)
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class colvarbias_histogram : public colvarbias {
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public:
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colvarbias_histogram(std::string const &conf, char const *key);
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~colvarbias_histogram();
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cvm::real update();
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int write_output_files();
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protected:
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/// n-dim histogram
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colvar_grid_scalar *grid;
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std::vector<int> bin;
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std::string out_name, out_name_dx;
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size_t output_freq;
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/// If one or more of the variables are \link type_vector \endlink, treat them as arrays of this length
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size_t colvar_array_size;
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/// If colvar_array_size is larger than 1, weigh each one by this number before accumulating the histogram
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std::vector<cvm::real> weights;
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std::istream& read_restart(std::istream&);
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std::ostream& write_restart(std::ostream&);
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};
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#endif
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