Scine::Swoose  2.1.0
This is the SCINE module Swoose.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Public Member Functions | Friends | List of all members
Scine::MolecularMechanics::AnglesEvaluator Class Reference
Collaboration diagram for Scine::MolecularMechanics::AnglesEvaluator:
Collaboration graph

Public Member Functions

 AnglesEvaluator (const Utils::PositionCollection &positions)
 Constructor from positions.
 
double evaluate (Utils::AtomicSecondDerivativeCollection &derivatives)
 This function evaluates and returns the energy for all angle interactions and updates the derivatives.
 
void setAngleTerms (std::vector< AngleTerm > &&angleTerms)
 Sets a vector of instances of AngleTerm.
 

Friends

class Qmmm::InteractionTermEliminator
 
The documentation for this class was generated from the following files: