Index

C

compile() (in module plip.main)

compile_program() (in module plip.utils)

D

doCalc (C++ function) doCalc_Short (C++ function) doCalcD (C++ function)

doCalcD_Short (C++ function) doPrint2B (C++ function) doPrint3B (C++ function) doReadCoeff (C++ function)

E

expSW (C++ function)

expSW_D (C++ function)

F

fcut (C++ function)

fcutD (C++ function) fit_model() (in module plip.Lasso)

G

Gaus (C++ function) Gaus_D (C++ function) genBin() (in module plip.main)

genPot() (in module plip.main) getBinaryFiles() (in module plip.Lasso) getNatoms() (in module plip.Lasso)

L

LJ (C++ function)

LJ_D (C++ function)

M

module plip plip.Lasso plip.main plip.utils

move_files() (in module plip.utils)

O

oldread_File() (in module plip.Lasso)

P

plip module plip.Lasso module

plip.main module plip.utils module

R

read_File() (in module plip.Lasso) readBinaryFiles() (in module plip.Lasso) readForces() (in module plip.Lasso)

replace (C++ function) run_program() (in module plip.utils) runLasso() (in module plip.Lasso)

S

setup_data() (in module plip.Lasso) split_data() (in module plip.Lasso) strucXYZ (C++ class) strucXYZ::angles_ (C++ member) strucXYZ::anglesTYPE_ (C++ member) strucXYZ::distance_ (C++ member) strucXYZ::distanceTYPE_ (C++ member) strucXYZ::doComputeAngles (C++ function) strucXYZ::doComputeDistances (C++ function) strucXYZ::doReadXYZ (C++ function) strucXYZ::dx_ (C++ member) strucXYZ::GetAngle (C++ function) strucXYZ::GetAngleTYPE (C++ function)

strucXYZ::GetDistance (C++ function) strucXYZ::GetDistanceTYPE (C++ function) strucXYZ::GetDX (C++ function) strucXYZ::GetN_atoms (C++ function) strucXYZ::GetN_times (C++ function) strucXYZ::GetPos (C++ function) strucXYZ::GetType (C++ function) strucXYZ::L_ (C++ member) strucXYZ::N_atoms_ (C++ member) strucXYZ::N_times_ (C++ member) strucXYZ::pos_ (C++ member) strucXYZ::strucXYZ (C++ function) strucXYZ::type_ (C++ member)

T

train() (in module plip.main)

W

whichPot (C++ function) whichShort (C++ function) whichType3B (C++ function)

whichType3B_BIS (C++ function) whichTypeNB (C++ function) write_coefficients() (in module plip.Lasso) write_results() (in module plip.Lasso)

X

XMAT (C++ class) XMAT::check2B_ (C++ member) XMAT::doComputePot (C++ function) XMAT::doXMAT (C++ function) XMAT::getA (C++ function) XMAT::getB (C++ function) XMAT::getCheck2B (C++ function) XMAT::getInat (C++ function)

XMAT::getN_l3B (C++ function) XMAT::i_nature_ (C++ member) XMAT::list_a_ (C++ member) XMAT::list_b_ (C++ member) XMAT::N_l3B_ (C++ member) XMAT::N_lNB_ (C++ member) XMAT::XMAT (C++ function) xmat_input() (in module plip.main)

Y

yaml_reader() (in module plip.main)