version 1.18 | version 1.19 |
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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; |
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/// 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; } |
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/// \brief returns time_step_factor | |
inline int get_time_step_factor() const {return time_step_factor;} | |
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/// \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; |