./documentation.tcl

List of shortcuts

List of shortcuts

DESCRIPTION

Some commands (procedures) have convenience shortcuts, which are typically exported to global namespace. These are listed below in the following form:

    * user_command => Tcl proc that provides the command

List of utility shortcuts:

    * DIFDEN             => ::pwtk::difden::DIFDEN
    * difden_run         => ::pwtk::difden::run
    * difden_segmentSpec => ::pwtk::difden::segmentSpecialization

    * EOS     => ::pwtk::eos::EOS
    * eos_run => ::pwtk::eos::run

    * runFLO  => ::pwtk::flo::run

List of shortcuts for handling input data:

Input-data stacking:

    * input_pushpop => ::pwtk::input::pushpop
    * input_push    => ::pwtk::input::push 
    * input_pop     => ::pwtk::input::pop  
    * input_peek    => ::pwtk::input::peek 
    * input_stack_level => ::pwtk::input::stack_level

Clearing namelists and cards:

    * input_clear => ::pwtk::input::clear

Retrieving input data:

    pw.x
      * pwi_fprint    => ::pwtk::pwi::fprint
      * pwi_get       => ::pwtk::pwi::get
      * pwi_visualize => ::pwtk::pwi::visualize
    cp.x
      * cpi_fprint    => ::pwtk::cpi::fprint
      * cpi_get       => ::pwtk::cpi::get
      * cpi_visualize => ::pwtk::cpi::visualize
    neb.x
      * nebi_fprint    => ::pwtk::nebi::fprint
      * nebi_get       => ::pwtk::nebi::get
      * nebi_visualize => ::pwtk::nebi::visualize
    pp.x
      * ppi_fprint => ::pwtk::ppi::fprint
      * ppi_get    => ::pwtk::ppi::get
    bands.x
      * bi_fprint => ::pwtk::bi::fprint
      * bi_get    => ::pwtk::bi::get
    dos.x
      * di_fprint => ::pwtk::di::fprint
      * di_get    => ::pwtk::di::get
    projwfc.x
      * pri_fprint => ::pwtk::pri::fprint
      * pri_get    => ::pwtk::pri::get
    molecularpdos.x
      * mpdi_fprint => ::pwtk::mpdi::fprint
      * mpdi_get    => ::pwtk::mpdi::get
    ph.x
      * phi_fprint   => ::pwtk::phi::fprint
      * phi_get      => ::pwtk::phi::get
      * phi_getTitle => ::pwtk::phi::getTitle
      * phi_getAffix => ::pwtk::phi::getAffix
    dynmat.x
      * dmi_fprint => ::pwtk::dmi::fprint
      * dmi_get    => ::pwtk::dmi::get
    matdyn.x
      * mdi_fprint   => ::pwtk::mdi::fprint
      * mdi_get      => ::pwtk::mdi::get
      * mdi_getAffix => ::pwtk::mdi::getAffix
    q2r.x
      * q2ri_fprint   => ::pwtk::q2ri::fprint
      * q2ri_get      => ::pwtk::q2ri::get
      * q2ri_getAffix => ::pwtk::q2ri::getAffix
    turbo_davidson.x
      * davi_fprint => ::pwtk::davi::fprint
      * davi_get    => ::pwtk::davi::get
    turbo_lanczos.x
      * lani_fprint => ::pwtk::lani::fprint
      * lani_get    => ::pwtk::lani::get
    turbo_eels.x
      * eelsi_fprint => ::pwtk::eelsi::fprint
      * eelsi_get    => ::pwtk::eelsi::get
    turbo_spectrum.x
      * speci_fprint => ::pwtk::speci::fprint
      * speci_get    => ::pwtk::speci::get
    hp.x
      * hpi_fprint => ::pwtk::hpi::fprint
      * hpi_get    => ::pwtk::hpi::get

List of shortcuts for data retrieval:

    * pwo_totene => ::pwtk::pwo::totene 
    * pwo_totfor => ::pwtk::pwo::totfor  
    * pwo_totmag => ::pwtk::pwo::totmag
    * pwo_etot   => ::pwtk::pwo::etot   
    * pwo_efermi => ::pwtk::pwo::efermi 
    * pwo_press  => ::pwtk::pwo::press  
    * pwo_alat   => ::pwtk::pwo::alat   
    * pwo_dipole => ::pwtk::pwo::dipole

List of "batch queuing" shortcuts:

In the below list the ${queueSystem} stands for either slurm, lsf, or ll. Beware that while the usage of generic ::pwtk::queue::* commands is:

      ::pwtk::queue::cmd queueSystem arguments

the usage of specific commands for a given queuing system (say slurm) is:

      ::pwtk::slurm::cmd arguments

that is, the "queueSystem" argument is ommited.

List of shortcuts for new flexible-mode :

SLURM => ::pwtk::SLURM
LSF => ::pwtk::LSF
LL => ::pwtk::LL
slurm_profile => ::pwtk::slurm_profile
lsf_profile => ::pwtk::lsf_profile
ll_profile => ::pwtk::ll_profile

List of shorcuts for deprecated rigid-mode:

    * ${queueSystem}_clear => ::pwtk::queue::clear
     
    * ${queueSystem}_setHead  => ::pwtk::queue::setHead 
    * ${queueSystem}_setSpecs => ::pwtk::queue::setSpecs  
    * ${queueSystem}_setVar   => ::pwtk::queue::setVar    
    * ${queueSystem}_setTail  => ::pwtk::queue::setTail   
                                
    * ${queueSystem}_getHead   => ::pwtk::queue::getHead   
    * ${queueSystem}_getSpecs  => ::pwtk::queue::getSpecs  
    * ${queueSystem}_getVar    => ::pwtk::queue::getVar    
    * ${queueSystem}_getBody   => ::pwtk::queue::getBody   
    * ${queueSystem}_getTail   => ::pwtk::queue::getTail   
    * ${queueSystem}_getScript => ::pwtk::queue::getScript 
                                         
    * ${queueSystem}_run         => ::pwtk::queue::run        
    * ${queueSystem}_runPW       => ::pwtk::queue::runPW      
    * ${queueSystem}_rerunPW     => ::pwtk::queue::rerunPW    
    * ${queueSystem}_runPH       => ::pwtk::queue::runPH      
    * ${queueSystem}_rerunPH     => ::pwtk::queue::runPH      
    * ${queueSystem}_runPROJWFC  => ::pwtk::queue::runPROJWFC 
    * ${queueSystem}_runPP       => ::pwtk::queue::runPP      
    * ${queueSystem}_runNEB      => ::pwtk::queue::runNEB     
    * ${queueSystem}_rerunNEB    => ::pwtk::queue::rerunNEB   
    * ${queueSystem}_runDOS      => ::pwtk::queue::runDOS     
    * ${queueSystem}_runBANDS    => ::pwtk::queue::runBANDS   
    * ${queueSystem}_runDYNMAT   => ::pwtk::queue::runDYNMAT 
    * ${queueSystem}_runMOPDOS   => ::pwtk::queue::runMOPDOS 
    * ${queueSystem}_runMOLECULARPDOS => ::pwtk::queue::runMOLECULARPDOS

    * ${queueSystem}_get    => ::pwtk::queue::get
    * ${queueSystem}_print  => ::pwtk::queue::print
    * ${queueSystem}_fprint => ::pwtk::queue::fprint
    * ${queueSystem}_submit => ::pwtk::queue::submit

    * ${queueSystem}_profile        => ::pwtk::queue::profile
    * ${queueSystem}_profileDefault => ::pwtk::queue::profileDefault

TABLE OF CONTENTS

List of shortcuts