| version 1.2 | version 1.3 |
|---|
| |
| class colvarbias_alb : public colvarbias { | class colvarbias_alb : public colvarbias { |
| | |
| public: | public: |
| colvarbias_alb(std::string const &conf, char const *key); | |
| virtual ~colvarbias_alb(); | |
| | |
| | |
| virtual cvm::real update(); | colvarbias_alb(char const *key); |
| | virtual ~colvarbias_alb(); |
| | virtual int init(std::string const &conf); |
| | virtual int update(); |
| | |
| /// Read the bias configuration from a restart file | |
| virtual std::istream & read_restart(std::istream &is); | virtual std::istream & read_restart(std::istream &is); |
| | |
| /// Write the bias configuration to a restart file | |
| virtual std::ostream & write_restart(std::ostream &os); | virtual std::ostream & write_restart(std::ostream &os); |
| | |
| /// Write a label to the trajectory file (comment line) | |
| virtual std::ostream & write_traj_label(std::ostream &os); | virtual std::ostream & write_traj_label(std::ostream &os); |
| | |
| /// Output quantities such as the bias energy to the trajectory file | |
| virtual std::ostream & write_traj(std::ostream &os); | virtual std::ostream & write_traj(std::ostream &os); |
| | |
| protected: | protected: |