PWTK 3.2 -- Scripting Interface for Quantum ESPRESSO
Table of Contents
Index
Sections
Classes
Examples
Functions
Methods
Namespaces
Functions
A
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B
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C
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D
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E
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F
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G
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H
-
I
-
J
-
K
-
L
-
M
-
N
-
O
-
P
-
Q
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R
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S
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T
-
U
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V
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W
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X
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Y
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Z
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0
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9
Normal
:
::fnml::getContent
::fnml::parseContent
::pwtk::abort
::pwtk::afterDone
::pwtk::all_curri::clear
::pwtk::all_curri::fprint
::pwtk::all_curri::get
::pwtk::all_curri::load_fromALL_CURRI
::pwtk::artn::artn
::pwtk::artn::clear
::pwtk::artn::fprint
::pwtk::artn::get
::pwtk::artn::load_artn.in
::pwtk::artn::save_artn.in
::pwtk::atmPosTo
::pwtk::atmPosToBarycenter
::pwtk::atmPosToCartesian
::pwtk::atmPosToCoor
::pwtk::atmPosToCrystal
::pwtk::ATOMIC_POSITIONS_math_parser
::pwtk::ATOMIC_SPECIES_math_parser
::pwtk::atomRadius
::pwtk::atomSymbol
::pwtk::auto_neb
::pwtk::backup_io
::pwtk::band_inti::clear
::pwtk::band_inti::fprint
::pwtk::band_inti::get
::pwtk::band_inti::load_fromBAND_INTI
::pwtk::bands
::pwtk::bands_plot
::pwtk::bands_run
::pwtk::barycenter
::pwtk::bg
::pwtk::bg_wait
::pwtk::bgw2pwi::clear
::pwtk::bgw2pwi::fprint
::pwtk::bgw2pwi::get
::pwtk::bgw2pwi::load_fromBGW2PWI
::pwtk::bi::clear
::pwtk::bi::fprint
::pwtk::bi::get
::pwtk::bi::load_fromBI
::pwtk::bin_dir
::pwtk::bin_query
::pwtk::boundingBox
::pwtk::boxify
::pwtk::boxifyCell
::pwtk::boxSize
::pwtk::calcmol
::pwtk::can_connect
::pwtk::card_math_parser
::pwtk::cat
::pwtk::catch_error
::pwtk::CELL_PARAMETERS_math_parser
::pwtk::checkForError
::pwtk::container
::pwtk::coorToAtmPos
::pwtk::coorToCartesian
::pwtk::coorToCrystal
::pwtk::cp
::pwtk::cpi::clear
::pwtk::cpi::fprint
::pwtk::cpi::get
::pwtk::cpi::getAtmSymbList
::pwtk::cpi::load_fromCPI
::pwtk::cpi::visualize
::pwtk::cpppi::clear
::pwtk::cpppi::fprint
::pwtk::cpppi::get
::pwtk::cpppi::load_fromCPPPI
::pwtk::cube2bader
::pwtk::cut
::pwtk::d3hessi::clear
::pwtk::d3hessi::fprint
::pwtk::d3hessi::get
::pwtk::d3hessi::load_fromD3HESSI
::pwtk::davi::clear
::pwtk::davi::fprint
::pwtk::davi::get
::pwtk::davi::load_fromDAVI
::pwtk::defineInput4Program
::pwtk::definePlugin
::pwtk::defineSynonym
::pwtk::delayed_eval
::pwtk::delayed_eval_finish
::pwtk::deleteCoor
::pwtk::deleteCoorRange
::pwtk::deprecated
::pwtk::di::clear
::pwtk::di::fprint
::pwtk::di::get
::pwtk::di::load_fromDI
::pwtk::difden::DIFDEN
::pwtk::difden::run
::pwtk::difden::segmentSpecialization
::pwtk::difden_run
::pwtk::difden_segmentSpec
::pwtk::display
::pwtk::dmi::clear
::pwtk::dmi::fprint
::pwtk::dmi::get
::pwtk::dmi::load_fromDMI
::pwtk::dmo::vibSpectrum
::pwtk::dmo_vibSpectrum
::pwtk::docViewer
::pwtk::dos
::pwtk::dos_plot
::pwtk::dos_run
::pwtk::doubleSeq
::pwtk::dquote
::pwtk::dryrunCP
::pwtk::dryrunNEB
::pwtk::dryrunPW
::pwtk::dynmat
::pwtk::eelsi::clear
::pwtk::eelsi::fprint
::pwtk::eelsi::get
::pwtk::eelsi::load_fromEELSI
::pwtk::egrep
::pwtk::egrep_field
::pwtk::environ::clear
::pwtk::environ::environ
::pwtk::environ::fprint
::pwtk::environ::get
::pwtk::environ::load_environ.in
::pwtk::environ::save_environ.in
::pwtk::eos::EOS
::pwtk::eos::findMinimum
::pwtk::eos::ibrav2lattice
::pwtk::eos::run
::pwtk::eos_run
::pwtk::error
::pwtk::eval_in_dir
::pwtk::evalExpr
::pwtk::execute
::pwtk::expandSequence
::pwtk::f2c_number
::pwtk::fast_neb
::pwtk::FASTNEB
::pwtk::file_backup
::pwtk::fileMustExist
::pwtk::findExecutable
::pwtk::finish
::pwtk::firstWord
::pwtk::flo::run
::pwtk::flo_run
::pwtk::formatAtmPos
::pwtk::formatCoor
::pwtk::fprint
::pwtk::getAtmPosSegment
::pwtk::getExecutable
::pwtk::getNAtoms
::pwtk::getNonEmptyLine
::pwtk::getViewer
::pwtk::gp::get_term
::pwtk::gp::gp2pwtk
::pwtk::gp::new_page_multiplot
::pwtk::gp::new_page_plot
::pwtk::gp::pwtk2gp
::pwtk::gp::pwtk_terminals
::pwtk::gp::term_ok
::pwtk::gp::term_usable
::pwtk::gp::terminals
::pwtk::grep
::pwtk::grep_field
::pwtk::headname
::pwtk::heatmap
::pwtk::host_is_up
::pwtk::hp
::pwtk::hpi::clear
::pwtk::hpi::fprint
::pwtk::hpi::get
::pwtk::hpi::load_fromHPI
::pwtk::ifempty
::pwtk::ifexist
::pwtk::ifnotempty
::pwtk::ifnotexist
::pwtk::ifset
::pwtk::ihandle
::pwtk::imageTile
::pwtk::imgViewer
::pwtk::import
::pwtk::infoMsg
::pwtk::input::card
::pwtk::input::card_w_flags
::pwtk::input::card_wo_flags
::pwtk::input::cardAppend
::pwtk::input::cardClear
::pwtk::input::cardContent
::pwtk::input::cardFlags
::pwtk::input::cardGet
::pwtk::input::cardGetContent
::pwtk::input::cardGetFlags
::pwtk::input::cardGetPWTK
::pwtk::input::cardPrepend
::pwtk::input::cardPrint
::pwtk::input::clear
::pwtk::input::load_state
::pwtk::input::namelist
::pwtk::input::namelist.affix
::pwtk::input::namelist.affixGet
::pwtk::input::namelist.affixGetAffix
::pwtk::input::namelist.affixPrint
::pwtk::input::namelist.affixPrintAffix
::pwtk::input::namelistAtmSymb2Ityp
::pwtk::input::namelistClear
::pwtk::input::namelistGet
::pwtk::input::namelistGetPWTK
::pwtk::input::namelistGetVarNoCase
::pwtk::input::namelistGetVarValue
::pwtk::input::namelistIfsetVar
::pwtk::input::namelistItyp2AtmSymb
::pwtk::input::namelistPrint
::pwtk::input::peek
::pwtk::input::pop
::pwtk::input::print
::pwtk::input::printAll
::pwtk::input::push
::pwtk::input::pushpop
::pwtk::input::script
::pwtk::input::scriptAppend
::pwtk::input::scriptClear
::pwtk::input::scriptGet
::pwtk::input::scriptPrepend
::pwtk::input::scriptPrint
::pwtk::input::stack_level
::pwtk::input_handle
::pwtk::intSeq
::pwtk::invert3x3
::pwtk::is_comment
::pwtk::is_double
::pwtk::is_expr
::pwtk::is_int
::pwtk::is_true
::pwtk::isAtomLabel
::pwtk::job_done
::pwtk::kcwi::clear
::pwtk::kcwi::fprint
::pwtk::kcwi::get
::pwtk::kcwi::load_fromKCWI
::pwtk::Kmeshize
::pwtk::lani::clear
::pwtk::lani::fprint
::pwtk::lani::get
::pwtk::lani::load_fromLANI
::pwtk::latex::head
::pwtk::latex::landscape
::pwtk::latex::tabulateFigs
::pwtk::latex::tail
::pwtk::latex::text
::pwtk::latvec2Dto3D
::pwtk::latvec3Dto2D
::pwtk::ld1i::clear
::pwtk::ld1i::fprint
::pwtk::ld1i::get
::pwtk::ld1i::load_fromLD1I
::pwtk::ldos_fullplot
::pwtk::ldos_multiplot
::pwtk::ldos_plot
::pwtk::lequal
::pwtk::lineread
::pwtk::LL
::pwtk::ll_clear
::pwtk::ll_fprint
::pwtk::ll_get
::pwtk::ll_head
::pwtk::ll_profile
::pwtk::ll_profileDefault
::pwtk::ll_pwtk_profile
::pwtk::ll_pwtk_profileDefault
::pwtk::ll_tail
::pwtk::load_from
::pwtk::lobster::datafy
::pwtk::lobster::getinfo
::pwtk::lobster::multiplot
::pwtk::lobster::plot
::pwtk::lobster::sumdos
::pwtk::lobster_datafy
::pwtk::lobster_getinfo
::pwtk::lobster_multiplot
::pwtk::lobster_plot
::pwtk::lobster_run
::pwtk::lobster_sumdos
::pwtk::LSF
::pwtk::lsf::optionParser
::pwtk::lsf_clear
::pwtk::lsf_fprint
::pwtk::lsf_get
::pwtk::lsf_head
::pwtk::lsf_profile
::pwtk::lsf_profileDefault
::pwtk::lsf_pwtk_profile
::pwtk::lsf_pwtk_profileDefault
::pwtk::lsf_tail
::pwtk::m2cell
::pwtk::magi::clear
::pwtk::magi::fprint
::pwtk::magi::get
::pwtk::magi::load_fromMAGI
::pwtk::manual_neb
::pwtk::matdyn
::pwtk::mathParser
::pwtk::matricize
::pwtk::mdi::clear
::pwtk::mdi::fprint
::pwtk::mdi::get
::pwtk::mdi::getAffix
::pwtk::mdi::load_fromMDI
::pwtk::measure_time
::pwtk::molecularpdos
::pwtk::mopdos_plot
::pwtk::mopdos_run
::pwtk::mpdi::clear
::pwtk::mpdi::fprint
::pwtk::mpdi::get
::pwtk::mpdi::load_fromMPDI
::pwtk::multiplot
::pwtk::neb
::pwtk::neb_plot
::pwtk::neb_refine
::pwtk::neb_refine_artn
::pwtk::neb_refine_auto
::pwtk::neb_refine_merge
::pwtk::nebi::addImage
::pwtk::nebi::addImageCoor_fromCRD
::pwtk::nebi::addImageCoor_fromPWO
::pwtk::nebi::addImageCoor_fromXSF
::pwtk::nebi::clear
::pwtk::nebi::deleteImageCharges
::pwtk::nebi::deleteImages
::pwtk::nebi::fixAtoms
::pwtk::nebi::fixAtoms1st
::pwtk::nebi::fixAtoms_inPATH
::pwtk::nebi::fixAtomsLast
::pwtk::nebi::fprint
::pwtk::nebi::fprint_old
::pwtk::nebi::get
::pwtk::nebi::getAtmSymbList
::pwtk::nebi::getImage
::pwtk::nebi::getImageAtmPos
::pwtk::nebi::getImageCharge
::pwtk::nebi::getImageUnit
::pwtk::nebi::getNAtoms
::pwtk::nebi::getNImages
::pwtk::nebi::getPositions
::pwtk::nebi::load_fromNEBI
::pwtk::nebi::path2imageAtmPos
::pwtk::nebi::path2xsf
::pwtk::nebi::POSITIONS_fromAXSF
::pwtk::nebi::POSITIONS_fromCRD
::pwtk::nebi::POSITIONS_fromPATH
::pwtk::nebi::replaceImage
::pwtk::nebi::setImageCharge
::pwtk::nebi::setImageCharges
::pwtk::nebi::substituteAtom
::pwtk::nebi::substituteAtoms
::pwtk::nebi::visualize
::pwtk::nebo::getCI
::pwtk::nebo::getEact
::pwtk::nebo::getEactRev
::pwtk::nebo::getInterImageDist
::pwtk::nebo::getNImages
::pwtk::nebo::getPathLength
::pwtk::nice
::pwtk::norm
::pwtk::norm3
::pwtk::one_atom_dryrunPW
::pwtk::orbitalGroup
::pwtk::oscdft::clear
::pwtk::oscdft::fprint
::pwtk::oscdft::get
::pwtk::oscdft::load_oscdft.in
::pwtk::oscdft::oscdft
::pwtk::oscdft::save_oscdft.in
::pwtk::oscdft_eti::clear
::pwtk::oscdft_eti::fprint
::pwtk::oscdft_eti::get
::pwtk::oscdft_eti::load_fromOSCDFT_ETI
::pwtk::oscdft_ppi::clear
::pwtk::oscdft_ppi::fprint
::pwtk::oscdft_ppi::get
::pwtk::oscdft_ppi::load_fromOSCDFT_PPI
::pwtk::outdir
::pwtk::outdir_backup
::pwtk::outdir_clean
::pwtk::outdir_create
::pwtk::outdir_postfix
::pwtk::outdir_prefix
::pwtk::outdir_prefix_append
::pwtk::outdir_query
::pwtk::parseIndex1
::pwtk::parseRangeString
::pwtk::parseRangeStringNotIn
::pwtk::path::energies
::pwtk::path::energy
::pwtk::path::fixAtoms
::pwtk::path::getNAtoms
::pwtk::path::initialize
::pwtk::path::nImages
::pwtk::path::relaxAtoms
::pwtk::PBS
::pwtk::pbs_clear
::pwtk::pbs_fprint
::pwtk::pbs_get
::pwtk::pbs_head
::pwtk::pbs_profile
::pwtk::pbs_profileDefault
::pwtk::pbs_pwtk_profile
::pwtk::pbs_pwtk_profileDefault
::pwtk::pbs_tail
::pwtk::pdos_atm_files
::pwtk::pdos_fullplot
::pwtk::pdos_multiplot
::pwtk::pdos_plot
::pwtk::pdos_run
::pwtk::ph
::pwtk::phi::clear
::pwtk::phi::fprint
::pwtk::phi::get
::pwtk::phi::getAffix
::pwtk::phi::getTitle
::pwtk::phi::load_fromPHI
::pwtk::pid_exists
::pwtk::pid_wait
::pwtk::plot
::pwtk::postahci::clear
::pwtk::postahci::fprint
::pwtk::postahci::get
::pwtk::postahci::load_fromPOSTAHCI
::pwtk::postfix
::pwtk::postrun
::pwtk::pp
::pwtk::pp_bader
::pwtk::ppacfi::clear
::pwtk::ppacfi::fprint
::pwtk::ppacfi::get
::pwtk::ppacfi::load_fromPPACFI
::pwtk::ppi::clear
::pwtk::ppi::fprint
::pwtk::ppi::get
::pwtk::ppi::load_fromPPI
::pwtk::pprismi::clear
::pwtk::pprismi::fprint
::pwtk::pprismi::get
::pwtk::pprismi::load_fromPPRISMI
::pwtk::prefix
::pwtk::prerun
::pwtk::pri::clear
::pwtk::pri::fprint
::pwtk::pri::get
::pwtk::pri::load_fromPRI
::pwtk::print
::pwtk::printTitle
::pwtk::procName
::pwtk::prog
::pwtk::projwfc
::pwtk::propagate
::pwtk::propagate_clear
::pwtk::pseudo::etot_test
::pwtk::pseudo::etot_test_many
::pwtk::pseudo_auto_download
::pwtk::pseudo_dir
::pwtk::pseudo_download
::pwtk::purifyCoor
::pwtk::purifyVec
::pwtk::pw
::pwtk::pw2bgwi::clear
::pwtk::pw2bgwi::fprint
::pwtk::pw2bgwi::get
::pwtk::pw2bgwi::load_fromPW2BGWI
::pwtk::pw2gwi::clear
::pwtk::pw2gwi::fprint
::pwtk::pw2gwi::get
::pwtk::pw2gwi::load_fromPW2GWI
::pwtk::pw2wan90i::clear
::pwtk::pw2wan90i::fprint
::pwtk::pw2wan90i::get
::pwtk::pw2wan90i::load_fromPW2WAN90I
::pwtk::pw_pp_bader
::pwtk::pwcondi::clear
::pwtk::pwcondi::fprint
::pwtk::pwcondi::get
::pwtk::pwcondi::load_fromPWCONDI
::pwtk::pwi::aA
::pwtk::pwi::abc2celldm
::pwtk::pwi::alat
::pwtk::pwi::ATOMIC_POSITIONS_fromCRD
::pwtk::pwi::ATOMIC_POSITIONS_fromPWO
::pwtk::pwi::ATOMIC_POSITIONS_fromXSF
::pwtk::pwi::cC
::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromPWO
::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromXSF
::pwtk::pwi::CELL_PARAMETERS_fromPWO
::pwtk::pwi::CELL_PARAMETERS_fromXSF
::pwtk::pwi::celldm3
::pwtk::pwi::clear
::pwtk::pwi::coorToAtmPos
::pwtk::pwi::deleteAtoms
::pwtk::pwi::deleteAtoms1st
::pwtk::pwi::deleteAtomsLast
::pwtk::pwi::deleteAtomsRange
::pwtk::pwi::dipoleCorr
::pwtk::pwi::disableDipoleCorr
::pwtk::pwi::displaceAtoms
::pwtk::pwi::filterAtomicSpecies
::pwtk::pwi::fixAtoms
::pwtk::pwi::fixAtoms1st
::pwtk::pwi::fixAtomsLast
::pwtk::pwi::fixAtomsRange
::pwtk::pwi::fprint
::pwtk::pwi::get
::pwtk::pwi::getAllAtomicLabels
::pwtk::pwi::getAtmPos
::pwtk::pwi::getAtmPosSegment
::pwtk::pwi::getAtmPosUnit
::pwtk::pwi::getAtmSymbList
::pwtk::pwi::getAtomicLabels
::pwtk::pwi::getNAtoms
::pwtk::pwi::getNTyp
::pwtk::pwi::getPrimVec
::pwtk::pwi::getXSF
::pwtk::pwi::getXSFPrimCoor
::pwtk::pwi::getXSFPrimVec
::pwtk::pwi::ibrav
::pwtk::pwi::incrVacuum
::pwtk::pwi::insertAtoms
::pwtk::pwi::load_fromPWI
::pwtk::pwi::reduceConvThr
::pwtk::pwi::replaceCoor
::pwtk::pwi::setNAtoms
::pwtk::pwi::substituteAtmType
::pwtk::pwi::substituteAtom
::pwtk::pwi::substituteAtoms
::pwtk::pwi::supercell
::pwtk::pwi::supercell_fccHKL
::pwtk::pwi::supercell_slab
::pwtk::pwi::tabulateStructs
::pwtk::pwi::visualize
::pwtk::pwo::alat
::pwtk::pwo::bfgs_converged
::pwtk::pwo::conv_thr
::pwtk::pwo::crystal_axes
::pwtk::pwo::dipole
::pwtk::pwo::ecutrho
::pwtk::pwo::ecutwfc
::pwtk::pwo::efermi
::pwtk::pwo::elumo
::pwtk::pwo::etot
::pwtk::pwo::etot_conv_thr
::pwtk::pwo::forc_conv_thr
::pwtk::pwo::getAtmPos
::pwtk::pwo::getAtmPosSegment
::pwtk::pwo::getAtmPosUnit
::pwtk::pwo::getForces
::pwtk::pwo::getNAtoms
::pwtk::pwo::getPrimVec
::pwtk::pwo::getPrimVecUnit
::pwtk::pwo::getStruct
::pwtk::pwo::getStructData
::pwtk::pwo::getXSF
::pwtk::pwo::getXSFPrimCoor
::pwtk::pwo::getXSFPrimVec
::pwtk::pwo::ibrav
::pwtk::pwo::job_done
::pwtk::pwo::listing
::pwtk::pwo::listingPrint
::pwtk::pwo::mixing_beta
::pwtk::pwo::nat
::pwtk::pwo::nbnd
::pwtk::pwo::nelec
::pwtk::pwo::ntyp
::pwtk::pwo::press
::pwtk::pwo::reciprocal_axes
::pwtk::pwo::scferr
::pwtk::pwo::sortFiles
::pwtk::pwo::tabulateStructs
::pwtk::pwo::totene
::pwtk::pwo::toteneLine
::pwtk::pwo::totfor
::pwtk::pwo::totforLine
::pwtk::pwo::totmag
::pwtk::pwo::volume
::pwtk::pwo::xc
::pwtk::q2r
::pwtk::q2ri::clear
::pwtk::q2ri::fprint
::pwtk::q2ri::get
::pwtk::q2ri::getAffix
::pwtk::q2ri::load_fromQ2RI
::pwtk::qe2pwtk
::pwtk::queryMathParsing
::pwtk::queue::clear
::pwtk::queue::fprint
::pwtk::queue::get
::pwtk::queue::head
::pwtk::queue::init
::pwtk::queue::profile
::pwtk::queue::profileDefault
::pwtk::queue::pwtk_profile
::pwtk::queue::pwtk_profileDefault
::pwtk::queue::QUEUE
::pwtk::queue::submit
::pwtk::queue::tail
::pwtk::rangequote
::pwtk::rcp
::pwtk::re_spin_neb
::pwtk::readCards
::pwtk::readFile
::pwtk::readNamelists
::pwtk::readNml
::pwtk::readNml_w_affix
::pwtk::redirect
::pwtk::redirect_stderr_to
::pwtk::redirect_stdout_to
::pwtk::relax
::pwtk::relax_fromPWO
::pwtk::relax_fromXSF
::pwtk::relaxPW
::pwtk::relaxPW_fromXSF
::pwtk::remedy
::pwtk::remote
::pwtk::remote_get
::pwtk::remote_id
::pwtk::remote_ids
::pwtk::remote_pidexists
::pwtk::remote_pidwait
::pwtk::remote_wait
::pwtk::replaceAtom
::pwtk::report
::pwtk::report_
::pwtk::rerunCP
::pwtk::rerunDAVIDSON
::pwtk::rerunEELS
::pwtk::rerunLANCZOS
::pwtk::rerunMAGNON
::pwtk::rerunNEB
::pwtk::rerunPH
::pwtk::rerunPW
::pwtk::rerunXX
::pwtk::resolve_ssh_alias
::pwtk::restart
::pwtk::restart_fromIO
::pwtk::restartPW_fromPWIandPWO
::pwtk::rexec
::pwtk::rexec_bg
::pwtk::rmkdir
::pwtk::rsync
::pwtk::rtclsh
::pwtk::run
::pwtk::run_fromPWO
::pwtk::run_fromXSF
::pwtk::run_id
::pwtk::run_ids
::pwtk::run_wait
::pwtk::runALL_CURRENTS
::pwtk::runBAND_INTERPOLATION
::pwtk::runBANDS
::pwtk::runBGW2PW
::pwtk::runCP
::pwtk::runCPPP
::pwtk::runD3HESS
::pwtk::runDAVIDSON
::pwtk::runDOS
::pwtk::runDYNMAT
::pwtk::runEELS
::pwtk::runFLO
::pwtk::runHP
::pwtk::runKCW
::pwtk::runLANCZOS
::pwtk::runLD1
::pwtk::runMAGNON
::pwtk::runMATDYN
::pwtk::runMOLECULARPDOS
::pwtk::runMOPDOS
::pwtk::runNEB
::pwtk::runOSCDFT_ET
::pwtk::runOSCDFT_PP
::pwtk::runPH
::pwtk::runPOSTAHC
::pwtk::runPP
::pwtk::runPPACF
::pwtk::runPPRISM
::pwtk::runPROJWFC
::pwtk::runPW
::pwtk::runPW2BGW
::pwtk::runPW2GW
::pwtk::runPW2WANNIER90
::pwtk::runPW_fromXSF
::pwtk::runPW_remedy
::pwtk::runPWCOND
::pwtk::runQ2R
::pwtk::runSPECTRUM
::pwtk::runXX
::pwtk::sbco::postNeb
::pwtk::sbco::run
::pwtk::sbco::SBCO
::pwtk::scaleAtmPos
::pwtk::scaleCoor
::pwtk::scaleVec
::pwtk::scanpar
::pwtk::seq
::pwtk::serial_postfix
::pwtk::serial_prefix
::pwtk::SH
::pwtk::sh_profile
::pwtk::shiftAtmPos
::pwtk::shiftCoor
::pwtk::skipEmptyLines
::pwtk::skiplines
::pwtk::SLURM
::pwtk::slurm::optionParser
::pwtk::slurm_clear
::pwtk::slurm_fprint
::pwtk::slurm_get
::pwtk::slurm_head
::pwtk::slurm_profile
::pwtk::slurm_profileDefault
::pwtk::slurm_pwtk_profile
::pwtk::slurm_pwtk_profileDefault
::pwtk::slurm_tail
::pwtk::smi2coor
::pwtk::smi2png
::pwtk::smi2svg
::pwtk::smi2xsf
::pwtk::smilesToCoor
::pwtk::speci::clear
::pwtk::speci::fprint
::pwtk::speci::get
::pwtk::speci::load_fromSPECI
::pwtk::SPINNEB
::pwtk::spinSetup
::pwtk::splot
::pwtk::squote
::pwtk::stopOnError
::pwtk::sumldos
::pwtk::sumldosFiles
::pwtk::sumpdos
::pwtk::sumpdosFiles
::pwtk::supercell2D
::pwtk::supercell3D
::pwtk::svgViewer
::pwtk::thread
::pwtk::thread_id
::pwtk::thread_ids
::pwtk::thread_wait
::pwtk::time2ms
::pwtk::time2s
::pwtk::time2unit
::pwtk::treatrun
::pwtk::trim_postfix
::pwtk::trim_prefix
::pwtk::trimAllLines
::pwtk::trimIndent
::pwtk::trimText
::pwtk::try_exec
::pwtk::turbo_davidson
::pwtk::turbo_eels
::pwtk::turbo_lanczos
::pwtk::turbo_spectrum
::pwtk::type::gp_range
::pwtk::type::gp_size
::pwtk::type::intseq
::pwtk::type::number
::pwtk::type::numberlist
::pwtk::type::optionlist
::pwtk::type::range
::pwtk::type::rangestring
::pwtk::unquote
::pwtk::varvalue
::pwtk::vc-relax
::pwtk::vc-relax_fromPWO
::pwtk::vc-relax_fromXSF
::pwtk::vc_relaxPW
::pwtk::vc_relaxPW_fromXSF
::pwtk::vecFromTo
::pwtk::vecMathParser
::pwtk::warning
::pwtk::wfcdir
::pwtk::wfcdir_backup
::pwtk::wfcdir_clean
::pwtk::wfcdir_create
::pwtk::wfcdir_postfix
::pwtk::wfcdir_prefix
::pwtk::wfcdir_prefix_append
::pwtk::wfcdir_query
::pwtk::write
::pwtk::writeFile
::pwtk::xcd::makeFigs
::pwtk::xcd::newScriptFmt
::pwtk::xcd::oldScriptFmt
::pwtk::xcd::runScript
::pwtk::xcd::scriptHead
::pwtk::xcd::scriptTail
::pwtk::xsf::getAnimsteps
::pwtk::xsf::getDim
::pwtk::xsf::getNAtoms
::pwtk::xsf::getPrimCoor
::pwtk::xsf::getPrimCoorUnit
::pwtk::xsf::getPrimVec
::pwtk::xsf::getPrimVecUnit
@
@
G
gp
Internal
:
::pwtk::addOpt_
::pwtk::addOpts_
::pwtk::cardL2regexp
::pwtk::checkOType_
::pwtk::checkOTypeStrict_
::pwtk::debug
::pwtk::deleteOpts_
::pwtk::deprecatedOpts_
::pwtk::dir_clean_
::pwtk::dos_spin
::pwtk::dryrunFailed
::pwtk::dummy
::pwtk::dumpVars
::pwtk::engine_
::pwtk::eos::init_
::pwtk::eos::parseEOS_
::pwtk::expandSOpts
::pwtk::fmtUsage_
::pwtk::gp::checkCmdlineOpts_
::pwtk::gp::defaultCmdlineOpts_
::pwtk::gp::displayPlots_
::pwtk::gp::execDisplay_
::pwtk::gp::expandOptions
::pwtk::gp::multiplot_array
::pwtk::gp::orient
::pwtk::gp::osize
::pwtk::gp::output
::pwtk::gp::pause_
::pwtk::ignoredOpts_
::pwtk::input::appendInput_
::pwtk::input::defaultVarValue_
::pwtk::input::fprint_
::pwtk::input::namelistParse_
::pwtk::int_in_range1_
::pwtk::intlist_in_range1_
::pwtk::ll::init
::pwtk::lsf::init
::pwtk::lunique
::pwtk::mopdos_spin
::pwtk::neb_refine_exe_
::pwtk::nebi::deleteImage_
::pwtk::nebi::image_in_range_
::pwtk::nmlL2regexp
::pwtk::normalizeSOpt
::pwtk::parseKnownOpt_
::pwtk::parseOpt_
::pwtk::pbs::init
::pwtk::pdos_kresolved
::pwtk::pdos_spin
::pwtk::phi::input_
::pwtk::propagate_dump
::pwtk::pseudo::ecutwfcFromPPFile
::pwtk::pseudo::elemFromPPName
::pwtk::pseudo::getA
::pwtk::pseudo::minimalSetup
::pwtk::pseudo::needDual
::pwtk::pseudo::typeFromPPName
::pwtk::queue::optionParser
::pwtk::queue::part_
::pwtk::queue::setProfile_
::pwtk::remote_exec
::pwtk::setOpts_
::pwtk::sh::init
::pwtk::slurm::init
::pwtk::test
::pwtk::test
::pwtk::trimCardFlag
::pwtk::trimImplicitOpts_
::pwtk::vc-relaxPrintout_
::pwtk::vc-relaxSubsequent_
::pwtk::xrelax_
::pwtk::xrelaxArgs_
::pwtk::xxxdir_backup_
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