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Types & classes263 in github.com/CompPhysVienna/n2p2

⨍ Functions 1,062◇ Types & classes 263

↓ 1,808 callersClassVec3D

Vector in 3 dimensional real space.

src/libnnp/Vec3D.h:28

↓ 16 callersClassAtom

Storage for a single atom.

src/libnnp/Atom.h:31

↓ 7 callersClassNeighbor

src/libnnp/Atom.h:34

↓ 6 callersClassElementMap

Contains element map.

src/libnnp/ElementMap.h:29

↓ 6 callersClassLog

Logging class for library output. * * Log entries are saved in internal memory and may be redirected to multiple * destinations: existing C-style F

src/libnnp/Log.h:33

↓ 5 callersClassExamplePrediction

test/cpp/ExamplePrediction.h:9

↓ 5 callersClassExample_nnp_predict

test/cpp/Example_nnp_predict.h:8

↓ 4 callersClassExample_nnp_prune

test/cpp/Example_nnp_prune.h:8

↓ 4 callersClassSettings

Reads and analyzes settings file and stores parameters.

src/libnnp/Settings.h:32

↓ 3 callersClassCutoffFunction

src/libnnp/CutoffFunction.h:25

↓ 3 callersClassExample_nnp_scaling

test/cpp/Example_nnp_scaling.h:7

↓ 3 callersClassExample_nnp_train

test/cpp/Example_nnp_train.h:9

↓ 3 callersClassStructure

Storage for one atomic configuration.

src/libnnp/Structure.h:33

↓ 3 callersClassUpdateCandidate

src/libnnptrain/Training.h:349

↓ 2 callersClassExample_lammps_hdnnp

test/cpp/Example_lammps_hdnnp.h:7

↓ 2 callersClassExample_nnp_atomenv

test/cpp/Example_nnp_atomenv.h:10

↓ 2 callersClassExample_nnp_checkf

test/cpp/Example_nnp_checkf.h:7

↓ 2 callersClassExample_nnp_convert

test/cpp/Example_nnp_convert.h:8

↓ 2 callersClassExample_nnp_dataset

test/cpp/Example_nnp_dataset.h:7

↓ 2 callersClassExample_nnp_dist

test/cpp/Example_nnp_dist.h:8

↓ 2 callersClassExample_nnp_norm

test/cpp/Example_nnp_norm.h:8

↓ 2 callersClassExample_nnp_select

test/cpp/Example_nnp_select.h:8

↓ 1 callersClassElement

Contains element-specific data.

src/libnnp/Element.h:38

↓ 1 callersClassElementCabana

Derived Cabana class for element-specific data.

src/libnnpif/CabanaMD/ElementCabana.h:35

↓ 1 callersClassExample_nnp_checkdw

test/cpp/Example_nnp_checkdw.h:7

↓ 1 callersClassExample_nnp_symfunc

test/cpp/Example_nnp_symfunc.h:8

↓ 1 callersClassSFCacheList

src/libnnp/Element.h:44

↓ 1 callersClassScalingData

tools/misc/convert_nnp.py:51

EnumActivationFunction

src/libnnp/NeuralNetwork.h:32

src/libnnp/SymFncCompAngn.h:29

src/libnnp/SymFncExpAngw.h:28

src/libnnp/SymFncCompRadWeighted.h:29

src/libnnp/SymGrpCompAngnWeighted.h:30

src/libnnp/SymFncCompAngwWeighted.h:29

src/libnnp/SymGrpCompRadWeighted.h:29

src/libnnp/SymFncExpAngnWeighted.h:28

src/libnnp/SymFncCompAngnWeighted.h:29

src/libnnp/SymGrpCompAngn.h:30

src/libnnp/SymGrpCompAngw.h:30

src/libnnp/SymGrpExpRad.h:28

src/libnnp/SymFnc.h:31

src/libnnp/SymGrpExpRadWeighted.h:28

src/libnnp/SymGrpExpAngw.h:29

src/libnnp/SymGrpCompAngwWeighted.h:30

src/libnnp/SymFncExpRad.h:28

src/libnnp/SymGrpExpAngnWeighted.h:28

src/libnnp/Element.h:34

src/libnnp/SymFncExpAngn.h:28

src/libnnp/SymGrpExpAngn.h:29

src/libnnp/SymFncCompAngw.h:29

src/libnnp/SymFncExpRadWeighted.h:28

src/libnnp/SymFncCompRad.h:29

src/libnnp/SymGrpCompRad.h:29

src/libnnp/SymGrp.h:29

ClassBoostDataContainer

test/cpp/BoostDataContainer.h:6

ClassCompactFunction

A general function with compact support.

src/libnnp/CompactFunction.h:27

src/libnnp/SymFncStatistics.h:34

ClassCoreFunction

src/libnnp/CoreFunction.h:26

src/libnnp/CutoffFunction.h:42

Collect and process large data sets.

src/libnnptrain/Dataset.h:34

EnumDescentType

src/libnnptrain/GradientDescent.h:33

ClassElementMap

src/libnnp/SymFncCompAngn.h:30

ClassElementMap

src/libnnp/SymGrpBaseExpAng.h:28

ClassElementMap

src/libnnp/SymFncExpAngw.h:29

ClassElementMap

src/libnnp/SymGrpBaseCompAngWeighted.h:29

ClassElementMap

src/libnnp/SymFncCompRadWeighted.h:30

ClassElementMap

src/libnnp/SymGrpCompAngnWeighted.h:31

ClassElementMap

src/libnnp/SymFncCompAngwWeighted.h:30

ClassElementMap

src/libnnp/SymGrpCompRadWeighted.h:30

ClassElementMap

src/libnnp/SymFncExpAngnWeighted.h:29

ClassElementMap

src/libnnp/SymFncCompAngnWeighted.h:30

ClassElementMap

src/libnnp/SymGrpCompAngn.h:31

ClassElementMap

src/libnnp/SymGrpCompAngw.h:31

ClassElementMap

src/libnnp/SymGrpExpRad.h:29

ClassElementMap

src/libnnp/SymGrpExpRadWeighted.h:29

ClassElementMap

src/libnnp/SymGrpExpAngw.h:30

ClassElementMap

src/libnnp/SymGrpCompAngwWeighted.h:31

ClassElementMap

src/libnnp/SymFncExpRad.h:29

ClassElementMap

src/libnnp/SymGrpExpAngnWeighted.h:29

ClassElementMap

src/libnnp/SymFncExpAngn.h:29

ClassElementMap

src/libnnp/SymGrpExpAngn.h:30

ClassElementMap

src/libnnp/SymFncCompAngw.h:30

ClassElementMap

src/libnnp/SymGrpBaseCompAng.h:29

ClassElementMap

src/libnnp/SymFncExpRadWeighted.h:29

ClassElementMap

src/libnnp/SymFncCompRad.h:30

ClassElementMap

src/libnnp/SymGrpCompRad.h:30

test/cpp/Example.h:7

ClassExample_nnp

test/cpp/Example_nnp.h:6

ClassFixtureFourAtomsMixed

test/cpp/fixtures.h:97

ClassFixtureRepairDir

test/cpp/fileHelpers.h:65

ClassFixtureThreeAtomsDual

test/cpp/fixtures.h:53

ClassFixtureThreeAtomsMono

test/cpp/fixtures.h:11

ClassGradientDescent

Weight updates based on simple gradient descent methods.

src/libnnptrain/GradientDescent.h:29

ClassInterfaceLammps

src/interface/LAMMPS/src/ML-HDNNP/pair_hdnnp.h:33

ClassInterfaceLammps

src/libnnpif/LAMMPS/InterfaceLammps.h:30

EnumJacobianMode

src/libnnptrain/Training.h:84

ClassKalmanFilter

Implementation of the Kalman filter method.

src/libnnptrain/KalmanFilter.h:31

src/libnnptrain/KalmanFilter.h:35

src/libnnp/Settings.h:36

src/interface/LAMMPS/src/ML-HDNNP/pair_hdnnp.h:41

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