n2p2 - A neural network potential package
nnp::Training::UpdateCandidate Struct Reference

Contains location of one update candidate (energy or force). More...

Collaboration diagram for nnp::Training::UpdateCandidate:

Public Member Functions

bool operator< (UpdateCandidate const &rhs) const
 Overload < operator to sort in descending order. More...
 

Public Attributes

std::size_t s
 Structure index. More...
 
double error
 Absolute value of error with respect to reference value (in case of subcandidates, average is taken) More...
 
std::size_t posSubCandidates
 Current position in sub-candidate list (SM_SORT/_THRESHOLD). More...
 
std::vector< SubCandidatesubCandidates
 Vector containing grouped candidates. More...
 

Detailed Description

Contains location of one update candidate (energy or force).

Definition at line 384 of file Training.h.

Member Function Documentation

◆ operator<()

bool nnp::Training::UpdateCandidate::operator< ( UpdateCandidate const &  rhs) const
inline

Overload < operator to sort in descending order.

Definition at line 399 of file Training.h.

399 {
400 return this->error > rhs.error;
401 }
double error
Absolute value of error with respect to reference value (in case of subcandidates,...
Definition: Training.h:390

References error.

Member Data Documentation

◆ s

std::size_t nnp::Training::UpdateCandidate::s

Structure index.

Definition at line 387 of file Training.h.

Referenced by nnp::Training::update().

◆ error

double nnp::Training::UpdateCandidate::error

Absolute value of error with respect to reference value (in case of subcandidates, average is taken)

Definition at line 390 of file Training.h.

Referenced by operator<().

◆ posSubCandidates

std::size_t nnp::Training::UpdateCandidate::posSubCandidates

Current position in sub-candidate list (SM_SORT/_THRESHOLD).

Definition at line 392 of file Training.h.

Referenced by nnp::Training::update().

◆ subCandidates

std::vector<SubCandidate> nnp::Training::UpdateCandidate::subCandidates

Vector containing grouped candidates.

If no grouping intended, vector will contain only single entry.

Definition at line 396 of file Training.h.

Referenced by nnp::Training::update().


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