| version 1.18 | version 1.19 |
|---|
| |
| return cv_features; | return cv_features; |
| } | } |
| | |
| int refresh_deps(); | /// Implements possible actions to be carried out |
| | /// when a given feature is enabled |
| | /// This overloads the base function in colvardeps |
| | void do_feature_side_effects(int id); |
| | |
| /// List of biases that depend on this colvar | /// List of biases that depend on this colvar |
| std::vector<colvarbias *> biases; | std::vector<colvarbias *> biases; |
| |
| /// Sum of square coefficients for active cvcs | /// Sum of square coefficients for active cvcs |
| cvm::real active_cvc_square_norm; | cvm::real active_cvc_square_norm; |
| | |
| /// Time step multiplier (for coarse-time-step colvars) | /// \brief Absolute timestep number when this colvar was last updated |
| /// Colvar will only be calculated at those times; biases may ignore the information and | int prev_timestep; |
| /// always update their own forces (which is typically inexpensive) especially if | |
| /// they rely on other colvars. In this case, the colvar will accumulate forces applied between | |
| /// colvar updates. Alternately they may use it to calculate "impulse" biasing | |
| /// forces at longer intervals. Impulse forces must be multiplied by the timestep factor. | |
| int time_step_factor; | |
| | |
| /// Biasing force collected between updates, to be applied at next update for coarse-time-step colvars | |
| colvarvalue f_accumulated; | |
| | |
| public: | public: |
| /// \brief Return the number of CVC objects with an active flag (as set by update_cvc_flags) | /// \brief Return the number of CVC objects with an active flag (as set by update_cvc_flags) |
| inline size_t num_active_cvcs() const { return n_active_cvcs; } | inline size_t num_active_cvcs() const { return n_active_cvcs; } |
| | |
| /// \brief returns time_step_factor | |
| inline int get_time_step_factor() const {return time_step_factor;} | |
| | |
| /// \brief Use the internal metrics (as from \link cvc | /// \brief Use the internal metrics (as from \link cvc |
| /// \endlink objects) to calculate square distances and gradients | /// \endlink objects) to calculate square distances and gradients |
| /// | /// |
| |
| class distance; | class distance; |
| class distance_z; | class distance_z; |
| class distance_xy; | class distance_xy; |
| | class polar_theta; |
| | class polar_phi; |
| class distance_inv; | class distance_inv; |
| class distance_pairs; | class distance_pairs; |
| class angle; | class angle; |