version 1.13 | version 1.14 |
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/// -*- c++ -*- | // -*- c++ -*- |
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#ifndef COLVARBIAS_META_H | #ifndef COLVARBIAS_META_H |
#define COLVARBIAS_META_H | #define COLVARBIAS_META_H |
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/// Communication between different replicas | /// Communication between different replicas |
Communication comm; | Communication comm; |
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/// Constructor | colvarbias_meta(char const *key); |
colvarbias_meta(std::string const &conf, char const *key); | virtual int init(std::string const &conf); |
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/// Default constructor | |
colvarbias_meta(); | |
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/// Destructor | |
virtual ~colvarbias_meta(); | virtual ~colvarbias_meta(); |
| virtual int update(); |
virtual cvm::real update(); | |
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virtual std::istream & read_restart(std::istream &is); | virtual std::istream & read_restart(std::istream &is); |
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virtual std::ostream & write_restart(std::ostream &os); | virtual std::ostream & write_restart(std::ostream &os); |
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virtual int setup_output(); | virtual int setup_output(); |
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virtual void write_pmf(); | virtual void write_pmf(); |
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class hill; | class hill; |
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W(W_in), | W(W_in), |
centers(cv.size()), | centers(cv.size()), |
widths(cv.size()), | widths(cv.size()), |
it(cvm::it), | it(cvm::step_absolute()), |
replica(replica_in) | replica(replica_in) |
{ | { |
for (size_t i = 0; i < cv.size(); i++) { | for (size_t i = 0; i < cv.size(); i++) { |