mirror of https://gitlab.com/QEF/q-e.git
98 lines
2.5 KiB
Tcl
98 lines
2.5 KiB
Tcl
source commands.tcl
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module d3\#auto -title "PWSCF GUI: module D3.x" -script {
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readfilter ::pwscf::d3ReadFilter
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namelist inputph -name "INPUTPH" {
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required {
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var fildrho {
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-label "File containing the variation of the charge at q (fildrho):"
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-widget entryfileselectquote
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-validate string
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}
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var fild0rho {
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-label "File containing the variation of the charge at q=0 (fild0rho):"
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-widget entryfileselectquote
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-validate string
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}
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auxilvar ntyp {
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-label "Number of types of atoms:"
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-validate posint
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-fmt %d
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-default 1
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-widget spinint
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}
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dimension amass {
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-label "Atomic mass of each atomic type:"
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-validate fortranreal
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-start 1
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-end 1
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}
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}
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optional {
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var prefix \
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-label "Prefix for file names (prefix):" \
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-widget [list entrybutton "Prefix ..." [list ::pwscf::selectFileRoot $this prefix]] \
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-fmt %S -validate string
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var outdir {
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-label "Temporary directory (outdir):"
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-widget entrydirselectquote
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-validate string
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}
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var iverbosity {
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-label "Verbosity of output (iverbosity):"
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-textvalue {high low}
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-value {1 0}
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-widget radiobox
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}
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var fildyn -label "Output file with the derivative of the dynamical matrix (fildyn):" -validate string
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var ethr_ph {
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-label "Threshold for iterative diagonalization (ethr_ph):"
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-validate fortranposreal
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}
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auxilvar nmode {
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-label "Number of q=0 modes to compute:"
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-validate posint
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-default 1
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-widget spinint
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}
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dimension q0mode_todo {
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-label "The q=0 modes to compute"
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-validate nonnegint
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-widget spinint
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-start 1
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-end 1
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}
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var wraux {
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-label "Write different terms of the matrix on different files (wraux):"
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-textvalue {Yes No}
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-value {.true. .false.}
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-widget radiobox
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}
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var recv {
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-label "Is this recover run (rcev):"
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-textvalue {Yes No}
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-value {.true. .false.}
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-widget radiobox
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}
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var istop {
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-label "Where to stop calculation, istop=0 means do not stop (istop):"
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-widget spinint
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-validate nonnegint
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}
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}
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}
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# ----------------------------------------------------------------------
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# take care of specialities
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# ----------------------------------------------------------------------
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source d3-event.tcl
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# ------------------------------------------------------------------------
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# source the HELP file
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# ------------------------------------------------------------------------
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source d3-help.tcl
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}
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