Here is a list of all files with brief descriptions:

[detail level 12345]

► application
nnp-atomenv.cpp
nnp-checkdw.cpp
nnp-checkf.cpp
nnp-comp2.cpp
nnp-convert.cpp
nnp-cutoff.cpp
nnp-dataset.cpp
nnp-dist.cpp
nnp-norm.cpp
nnp-norm2.cpp
nnp-predict.cpp
nnp-prune.cpp
nnp-scaling.cpp
nnp-select.cpp
nnp-symfunc.cpp
nnp-train.cpp
► interface
► LAMMPS
► src
► ML-HDNNP
fix_hdnnp.cpp
fix_hdnnp.h
kspace_hdnnp.cpp
kspace_hdnnp.h
pair_hdnnp.cpp
pair_hdnnp.h
pair_hdnnp_4g.cpp
pair_hdnnp_4g.h
pair_hdnnp_develop.cpp
pair_hdnnp_develop.h
pair_hdnnp_external.cpp
pair_hdnnp_external.h
► libnnp
Atom.cpp
Atom.h
CompactFunction.cpp
CompactFunction.h
CoreFunction.cpp
CoreFunction.h
CutoffFunction.cpp
CutoffFunction.h
Element.cpp
Element.h
ElementMap.cpp
ElementMap.h
ErfcBuf.cpp
ErfcBuf.h
EwaldSetup.cpp
EwaldSetup.h
EwaldTruncJackson.cpp
EwaldTruncJackson.h
EwaldTruncKolafaFixR.cpp
EwaldTruncKolafaFixR.h
EwaldTruncKolafaOptEta.cpp
EwaldTruncKolafaOptEta.h
IEwaldTrunc.h
ISettings.h
Key.h
Kspace.cpp
Kspace.h
Log.cpp
Log.h
Mode.cpp
Mode.h
mpi-extra.h
NeuralNetwork.cpp
NeuralNetwork.h
Prediction.cpp
Prediction.h
ScreeningFunction.cpp
ScreeningFunction.h
Settings.cpp
Settings.h
SetupAnalysis.cpp
SetupAnalysis.h
Stopwatch.cpp
Stopwatch.h
Structure.cpp
Structure.h
SymFnc.cpp
SymFnc.h
SymFncBaseComp.cpp
SymFncBaseComp.h
SymFncBaseCompAng.cpp
SymFncBaseCompAng.h
SymFncBaseCompAngWeighted.cpp
SymFncBaseCompAngWeighted.h
SymFncBaseCutoff.cpp
SymFncBaseCutoff.h
SymFncBaseExpAng.cpp
SymFncBaseExpAng.h
SymFncCompAngn.cpp
SymFncCompAngn.h
SymFncCompAngnWeighted.cpp
SymFncCompAngnWeighted.h
SymFncCompAngw.cpp
SymFncCompAngw.h
SymFncCompAngwWeighted.cpp
SymFncCompAngwWeighted.h
SymFncCompRad.cpp
SymFncCompRad.h
SymFncCompRadWeighted.cpp
SymFncCompRadWeighted.h
SymFncExpAngn.cpp
SymFncExpAngn.h
SymFncExpAngnWeighted.cpp
SymFncExpAngnWeighted.h
SymFncExpAngw.cpp
SymFncExpAngw.h
SymFncExpRad.cpp
SymFncExpRad.h
SymFncExpRadWeighted.cpp
SymFncExpRadWeighted.h
SymFncStatistics.cpp
SymFncStatistics.h
SymGrp.cpp
SymGrp.h
SymGrpBaseComp.cpp
SymGrpBaseComp.h
SymGrpBaseCompAng.cpp
SymGrpBaseCompAng.h
SymGrpBaseCompAngWeighted.cpp
SymGrpBaseCompAngWeighted.h
SymGrpBaseCutoff.cpp
SymGrpBaseCutoff.h
SymGrpBaseExpAng.cpp
SymGrpBaseExpAng.h
SymGrpCompAngn.cpp
SymGrpCompAngn.h
SymGrpCompAngnWeighted.cpp
SymGrpCompAngnWeighted.h
SymGrpCompAngw.cpp
SymGrpCompAngw.h
SymGrpCompAngwWeighted.cpp
SymGrpCompAngwWeighted.h
SymGrpCompRad.cpp
SymGrpCompRad.h
SymGrpCompRadWeighted.cpp
SymGrpCompRadWeighted.h
SymGrpExpAngn.cpp
SymGrpExpAngn.h
SymGrpExpAngnWeighted.cpp
SymGrpExpAngnWeighted.h
SymGrpExpAngw.cpp
SymGrpExpAngw.h
SymGrpExpRad.cpp
SymGrpExpRad.h
SymGrpExpRadWeighted.cpp
SymGrpExpRadWeighted.h
utility.cpp
utility.h
Vec3D.h
version.h
► libnnpif
► CabanaMD
ElementCabana.h
ElementCabana_impl.h
ModeCabana.h
ModeCabana_impl.h
typesCabana.h
► LAMMPS
InterfaceLammps.cpp
InterfaceLammps.h
► libnnptrain
Dataset.cpp
Dataset.h
GradientDescent.cpp
GradientDescent.h
KalmanFilter.cpp
KalmanFilter.h
Training.cpp
Training.h
Updater.cpp
Updater.h