Scine::Readuct  6.0.0
This is the SCINE module ReaDuct.
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Public Attributes | List of all members
Scine::Readuct::ElementaryStepOptimization::EnergiesAndGradientsAlongSpline Struct Reference

#include <EnergiesAndGradientsAlongSpline.h>

Collaboration diagram for Scine::Readuct::ElementaryStepOptimization::EnergiesAndGradientsAlongSpline:
Collaboration graph

Public Attributes

PointSequence uValues {}
 
std::vector< double > energies {}
 
std::vector
< Utils::GradientCollection > 		gradients {}
 

Detailed Description

Struct for values possibly required by reaction path cost calculators.

The documentation for this struct was generated from the following file: