| version 1.10 | version 1.11 |
|---|
| |
| | |
| void colvar::cvc::calc_force_invgrads() | void colvar::cvc::calc_force_invgrads() |
| { | { |
| cvm::fatal_error("Error: calculation of inverse gradients is not implemented " | cvm::error("Error: calculation of inverse gradients is not implemented " |
| "for colvar components of type \""+function_type+"\".\n"); | "for colvar components of type \""+function_type+"\".\n", |
| | COLVARS_NOT_IMPLEMENTED); |
| } | } |
| | |
| | |
| void colvar::cvc::calc_Jacobian_derivative() | void colvar::cvc::calc_Jacobian_derivative() |
| { | { |
| cvm::fatal_error("Error: calculation of inverse gradients is not implemented " | cvm::error("Error: calculation of inverse gradients is not implemented " |
| "for colvar components of type \""+function_type+"\".\n"); | "for colvar components of type \""+function_type+"\".\n", |
| | COLVARS_NOT_IMPLEMENTED); |
| } | } |
| | |
| | |
| |
| } | } |
| | |
| | |
| | cvm::real colvar::cvc::dist2(colvarvalue const &x1, |
| | colvarvalue const &x2) const |
| | { |
| | return x1.dist2(x2); |
| | } |
| | |
| | |
| | colvarvalue colvar::cvc::dist2_lgrad(colvarvalue const &x1, |
| | colvarvalue const &x2) const |
| | { |
| | return x1.dist2_grad(x2); |
| | } |
| | |
| | |
| | colvarvalue colvar::cvc::dist2_rgrad(colvarvalue const &x1, |
| | colvarvalue const &x2) const |
| | { |
| | return x2.dist2_grad(x1); |
| | } |
| | |
| | |
| | void colvar::cvc::wrap(colvarvalue &x) const |
| | { |
| | return; |
| | } |
| | |
| | |
| // Static members | // Static members |
| | |
| std::vector<colvardeps::feature *> colvar::cvc::cvc_features; | std::vector<colvardeps::feature *> colvar::cvc::cvc_features; |