TABLE OF CONTENTS
- ::pwtk::pwi
- ::pwtk::pwi::alat
- ::pwtk::pwi::ATOMIC_POSITIONS_fromPWO
- ::pwtk::pwi::ATOMIC_POSITIONS_fromXSF
- ::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::deleteAtoms
- ::pwtk::pwi::deleteAtomsRange
- ::pwtk::pwi::disableDipoleCorr
- ::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::getAtmPosSegment
- ::pwtk::pwi::getAtomicLabels
- ::pwtk::pwi::ibrav
- ::pwtk::pwi::insertAtoms
- ::pwtk::pwi::load_fromPWI
- ::pwtk::pwi::reduceConvThr
- ::pwtk::pwi::replaceCoor
- ::pwtk::pwi::setNAtoms
- ::pwtk::pwi::substituteAtmType
- ::pwtk::pwi::tabulateStructs
- ::pwtk::pwi::visualize
::pwtk::pwi
NAME
::pwtk::pwi
DESCRIPTION
Namespace for handling the pw.x input.
PWI == PW.x Input
COMMANDS
- pwi_fprint -- print the content of pw.x input file either to stdout or to file
- pwi_get -- return the content of pw.x input file either to stdout or to file
- pwi_visualize -- vizualize the structure from pw.x input file with xcrysden