n2p2 - A neural network potential package
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Contains location of one update candidate (energy or force). More...
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< SubCandidate > | subCandidates |
Vector containing grouped candidates. More... | |
Contains location of one update candidate (energy or force).
Definition at line 384 of file Training.h.
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inline |
Overload < operator to sort in descending order.
Definition at line 399 of file Training.h.
References error.
std::size_t nnp::Training::UpdateCandidate::s |
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<().
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().
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().