26 eABF(
const std::string& _outputfile,
27 const int _outputfreq,
28 const bool _restart,
const std::string& _inputfile,
29 const bool _outputgrad,
const int _gradfreq,
const double _temperature):
36 virtual bool update(
const std::string&) = 0;
39 bool mergefile(
const std::string& inputname,
const std::string& outputname)
120 virtual bool calpmf()
const = 0;
virtual bool initialize()=0
std::vector< double > lowerboundary
std::vector< double > width
std::vector< double > krestr
eABF(const std::string &_outputfile, const int _outputfreq, const bool _restart, const std::string &_inputfile, const bool _outputgrad, const int _gradfreq, const double _temperature)
bool mergefile(const std::string &inputname, const std::string &outputname)
virtual bool calpmf() const =0
bool setcolumn(std::vector< int > col)
virtual bool writehead(ofstream_namd &) const =0
virtual bool update(const std::string &)=0
virtual bool readfile()=0
std::vector< double > upperboundary
virtual bool writefile() const =0