version 1.22 | version 1.23 |
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{ | { |
colvarbias::init(conf); | colvarbias::init(conf); |
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provide(f_cvb_history_dependent); | |
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provide(f_cvb_calc_pmf); | |
enable(f_cvb_calc_pmf); | enable(f_cvb_calc_pmf); |
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get_keyval(conf, "hillWeight", hill_weight, 0.0); | get_keyval(conf, "hillWeight", hill_weight, 0.0); |
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cvm::log("Done initializing the metadynamics bias \""+this->name+"\""+ | cvm::log("Done initializing the metadynamics bias \""+this->name+"\""+ |
((comm != single_replica) ? ", replica \""+replica_id+"\"" : "")+".\n"); | ((comm != single_replica) ? ", replica \""+replica_id+"\"" : "")+".\n"); |
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save_delimiters = false; | |
return COLVARS_OK; | return COLVARS_OK; |
} | } |
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// it is safer to read colvarvalue objects one at a time; | // it is safer to read colvarvalue objects one at a time; |
// TODO: change this it later | // TODO: change this it later |
std::string centers_input; | std::string centers_input; |
key_lookup(data, "centers", centers_input); | key_lookup(data, "centers", ¢ers_input); |
std::istringstream centers_is(centers_input); | std::istringstream centers_is(centers_input); |
for (size_t i = 0; i < num_variables(); i++) { | for (size_t i = 0; i < num_variables(); i++) { |
centers_is >> h_centers[i]; | centers_is >> h_centers[i]; |