Functions — github.com/CompPhysVienna/n2p2

CodeHub MCPcopy Create free account

hub / github.com/CompPhysVienna/n2p2 / functions

Functions1,062 in github.com/CompPhysVienna/n2p2

⨍ Functions 1,062◇ Types & classes 263

↓ 1 callersFunctionconvert_weights_file

(old_file, new_file, order)

tools/misc/convert_nnp.py:149

↓ 1 callersFunctioncopy_directory_recursively

test/cpp/fileHelpers.h:10

↓ 1 callersMethodcountExtrapolationWarnings

src/libnnp/SymFncStatistics.cpp:139

↓ 1 callersFunctioncreateKnownKeywordsMap

src/libnnp/Settings.cpp:26

↓ 1 callersMethoddPdc

src/libnnptrain/Training.cpp:2884

↓ 1 callersMethoddPdcN

src/libnnptrain/Training.cpp:2956

↓ 1 callersMethoddataSetNormalization

src/libnnptrain/Training.cpp:398

↓ 1 callersMethodderegisterElements

src/libnnp/ElementMap.cpp:81

↓ 1 callersMethodextractEWBuffer

src/libnnpif/LAMMPS/InterfaceLammps.cpp:529

↓ 1 callersMethodfillEWBuffer

src/libnnpif/LAMMPS/InterfaceLammps.cpp:496

↓ 1 callersMethodfree

src/libnnp/Atom.cpp:221

↓ 1 callersMethodgetAtomicEnergy

src/libnnpif/LAMMPS/InterfaceLammps.cpp:375

↓ 1 callersMethodgetChargeLine

src/libnnp/Atom.cpp:336

↓ 1 callersMethodgetChargesLines

src/libnnp/Structure.cpp:647

↓ 1 callersMethodgetCutoffParameter

src/libnnp/CutoffFunction.h:193

↓ 1 callersMethodgetCutoffRadius

src/libnnp/CutoffFunction.h:188

↓ 1 callersMethodgetEWBufferSize

src/libnnpif/LAMMPS/InterfaceLammps.cpp:459

↓ 1 callersMethodgetElementsString

src/libnnp/ElementMap.cpp:56

↓ 1 callersMethodgetEnergy

src/libnnpif/LAMMPS/InterfaceLammps.cpp:370

↓ 1 callersMethodgetEnergyLine

src/libnnp/Structure.cpp:626

↓ 1 callersMethodgetExtrapolationWarningLines

src/libnnp/SymFncStatistics.cpp:112

↓ 1 callersMethodgetForces

src/libnnpif/LAMMPS/InterfaceLammps.cpp:392

↓ 1 callersMethodgetForcesLines

src/libnnp/Atom.cpp:321

↓ 1 callersMethodgetLog

src/libnnp/Log.cpp:97

↓ 1 callersMethodgetMaxCutoffRadius

src/libnnpif/CabanaMD/ElementCabana_impl.h:477

↓ 1 callersMethodgetMinCutoffRadius

src/libnnpif/CabanaMD/ElementCabana_impl.h:465

↓ 1 callersMethodgetMinCutoffRadius

src/libnnp/Element.cpp:395

↓ 1 callersMethodgetMinNeighbors

src/libnnpif/CabanaMD/ElementCabana_impl.h:445

↓ 1 callersMethodgetMinNeighbors

src/libnnp/SymFnc.h:359

↓ 1 callersMethodgetNeuronStatistics

src/libnnp/NeuralNetwork.cpp:913

↓ 1 callersMethodgetNnpType

src/libnnp/Mode.h:543

↓ 1 callersMethodgetNumNeurons

src/libnnp/NeuralNetwork.cpp:120

↓ 1 callersMethodgetNumStructures

src/libnnptrain/Dataset.cpp:707

↓ 1 callersMethodinfo

src/libnnptrain/KalmanFilter.cpp:318

↓ 1 callersMethodinfoSymmetryFunctionGroups

src/libnnpif/CabanaMD/ElementCabana_impl.h:389

↓ 1 callersMethodinfoSymmetryFunctionGroups

src/libnnp/Element.cpp:311

↓ 1 callersMethodinfoSymmetryFunctionParameters

src/libnnpif/CabanaMD/ElementCabana_impl.h:267

↓ 1 callersMethodinfoSymmetryFunctionParameters

src/libnnp/Element.cpp:166

↓ 1 callersMethodinfoSymmetryFunctionScaling

src/libnnpif/CabanaMD/ElementCabana_impl.h:292

↓ 1 callersMethodinfoSymmetryFunctionScaling

src/libnnp/Element.cpp:179

↓ 1 callersMethodisInitialized

src/libnnpif/LAMMPS/InterfaceLammps.h:194

↓ 1 callersMethodl1norm

src/libnnp/Vec3D.h:266

↓ 1 callersMethodloop

src/libnnp/Stopwatch.cpp:69

↓ 1 callersFunctionmain

tools/misc/convert_nnp.py:199

↓ 1 callersMethodparameterInfo

src/libnnp/SymFnc.cpp:32

↓ 1 callersMethodparameterLines

src/libnnp/SymGrpExpRad.cpp:241

↓ 1 callersMethodprepareNumericForces

src/libnnptrain/Dataset.cpp:886

↓ 1 callersFunctionprint_usage

tools/converter/convert-VASP_OUTCAR.py:28

↓ 1 callersMethodprocess

src/libnnpif/LAMMPS/InterfaceLammps.cpp:346

↓ 1 callersMethodpruneSymmetryFunctionsRange

src/libnnp/Mode.cpp:1657

↓ 1 callersMethodpruneSymmetryFunctionsSensitivity

src/libnnp/Mode.cpp:1678

↓ 1 callersFunctionreadColumnsFromFile

src/libnnp/utility.cpp:240

↓ 1 callersMethodremoveEnergyOffset

src/libnnp/Mode.cpp:1480

↓ 1 callersMethodresetExtrapolationWarnings

src/libnnp/Mode.cpp:1584

↓ 1 callersMethodresetTimingLoop

src/libnnptrain/Updater.cpp:42

↓ 1 callersMethodscalingLine

src/libnnp/SymFnc.cpp:225

↓ 1 callersMethodselectSets

src/libnnptrain/Training.cpp:81

↓ 1 callersMethodsetAsymmetric

src/libnnp/CoreFunction.h:143

↓ 1 callersMethodsetAtomicEnergyOffset

src/libnnp/Element.h:263

↓ 1 callersMethodsetCacheIndices

src/libnnp/Element.cpp:544

↓ 1 callersMethodsetCutoffFunction

src/libnnpif/CabanaMD/ElementCabana_impl.h:412

↓ 1 callersMethodsetError

src/libnnptrain/KalmanFilter.cpp:90

↓ 1 callersMethodsetJacobian

src/libnnptrain/KalmanFilter.cpp:104

↓ 1 callersMethodsetLineNumber

src/libnnp/SymFnc.h:372

↓ 1 callersMethodsetLocalAtoms

src/libnnpif/LAMMPS/InterfaceLammps.cpp:253

↓ 1 callersMethodsetLocalTags

src/libnnpif/LAMMPS/InterfaceLammps.cpp:291

↓ 1 callersMethodsetParametersAdam

src/libnnptrain/GradientDescent.cpp:127

↓ 1 callersMethodsetParametersFadingMemory

src/libnnptrain/KalmanFilter.cpp:219

↓ 1 callersMethodsetParametersFixed

src/libnnptrain/GradientDescent.cpp:120

↓ 1 callersMethodsetParametersStandard

src/libnnptrain/KalmanFilter.cpp:196

↓ 1 callersMethodsetScaling

src/libnnpif/CabanaMD/ElementCabana_impl.h:425

↓ 1 callersMethodsetScaling

src/libnnp/Element.cpp:362

↓ 1 callersMethodsetScalingNone

src/libnnp/Element.cpp:342

↓ 1 callersMethodsetSizeObservation

src/libnnptrain/KalmanFilter.cpp:76

↓ 1 callersMethodsetState

src/libnnptrain/KalmanFilter.cpp:83

↓ 1 callersMethodsetup

test/cpp/Example_nnp_dist.h:17

↓ 1 callersMethodsetupNeuralNetwork

src/libnnp/Mode.cpp:963

↓ 1 callersMethodsetupNormalization

src/libnnp/Mode.cpp:218

↓ 1 callersMethodsetupNumericDerivCheck

src/libnnptrain/Training.cpp:1170

↓ 1 callersMethodsetupTiming

src/libnnptrain/Updater.cpp:29

↓ 1 callersMethodsetupTraining

src/libnnptrain/Training.cpp:703

↓ 1 callersMethodsortNeighborLists

src/libnnptrain/Dataset.cpp:1464

↓ 1 callersMethodsortSymmetryFunctions

src/libnnpif/CabanaMD/ElementCabana_impl.h:169

↓ 1 callersMethodsortSymmetryFunctions

src/libnnp/Element.cpp:152

↓ 1 callersMethodstatus

src/libnnptrain/KalmanFilter.cpp:240

↓ 1 callersMethodstatusHeader

src/libnnptrain/KalmanFilter.cpp:265

↓ 1 callersMethodunscale

src/libnnp/SymFnc.cpp:197

↓ 1 callersMethodwriteAtomicEnvironmentFile

src/libnnptrain/Dataset.cpp:1534

↓ 1 callersMethodwriteConnections

src/libnnp/NeuralNetwork.cpp:527

↓ 1 callersMethodwriteExtrapolationWarnings

src/libnnpif/LAMMPS/InterfaceLammps.cpp:572

↓ 1 callersMethodwriteNeighborLists

src/libnnptrain/Dataset.cpp:1488

↓ 1 callersMethodwriteSetsToFiles

src/libnnptrain/Training.cpp:197

↓ 1 callersMethodwriteSymmetryFunctionFile

src/libnnptrain/Dataset.cpp:1253

↓ 1 callersMethodwriteSymmetryFunctionScaling

src/libnnptrain/Dataset.cpp:1002

↓ 1 callersMethodwriteSymmetryFunctionShape

src/libnnp/SetupAnalysis.cpp:24

↓ 1 callersMethodwriteToFilePoscar

src/libnnp/Structure.cpp:778

↓ 1 callersMethodwriteToFileXyz

src/libnnp/Structure.cpp:743

Method NeuralNetwork

src/libnnp/NeuralNetwork.cpp:30

Method SymFncBaseCompAng

src/libnnp/SymFncBaseCompAng.cpp:31

Method SymFncBaseCompAngWeighted

src/libnnp/SymFncBaseCompAngWeighted.cpp:31

← previous next →201–300 of 1,062, ranked by callers