git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13444 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -1,7 +1,4 @@
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// -*- c++ -*-
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/************************************************************************
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* Headers for the ABF and histogram biases *
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************************************************************************/
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#ifndef COLVARBIAS_ABF_H
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#define COLVARBIAS_ABF_H
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@ -40,7 +37,7 @@ private:
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bool hide_Jacobian;
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size_t full_samples;
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size_t min_samples;
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/// frequency for updating output files (default: same as restartFreq?)
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/// frequency for updating output files
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int output_freq;
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/// Write combined files with a history of all output data?
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bool b_history_files;
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@ -90,34 +87,5 @@ private:
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std::ostream& write_restart(std::ostream&);
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};
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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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protected:
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/// n-dim histogram
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colvar_grid_count *grid;
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std::vector<int> bin;
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std::string out_name;
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int 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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void write_grid();
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cvm::ofstream grid_os; /// Stream for writing grid to disk
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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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