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enhancing the treatment of dvscf_star and drho_star fortran structures 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12801 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
kokalj 2016-08-19 15:23:18 +00:00
parent e8659ff65e
commit efa1e9a1c1
2 changed files with 89 additions and 69 deletions
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38
GUI/PWgui/modules/ph/ph-event.tcl
View File

@ -83,19 +83,33 @@ tracevar nqs w {
widgetconfigure qPoints -rows $nqs
}
# help postproccessing (hack for help of dvscf_star & drho_star structures)
foreach ident {dvscf_star drho_star} {
set obj [_getObjFromVarident $ident]
set id [$obj getIdFromVarident $ident]
set helptext [$obj getOptionValue $id helptext]
foreach elem {open dir ext basis pat} {
help ${ident}_$elem -helpfmt helpdoc -helptext $helptext
tracevar dvscf_star_open w {
if { [varvalue dvscf_star_open] == ".true." } {
groupwidget dvscf_star_specs enable
} else {
groupwidget dvscf_star_specs disable
}
}
tracevar drho_star_open w {
if { [varvalue drho_star_open] == ".true." } {
groupwidget drho_star_specs enable
} else {
groupwidget drho_star_specs disable
}
}
## help postproccessing (hack for help of dvscf_star & drho_star structures)
#
#foreach ident {dvscf_star drho_star} {
#
# set obj [_getObjFromVarident $ident]
# set id [$obj getIdFromVarident $ident]
# set helptext [$obj getOptionValue $id helptext]
#
# foreach elem {open dir ext basis pat} {
# help ${ident}_$elem -helpfmt helpdoc -helptext $helptext
# }
#}
postprocess {
@ -112,4 +126,6 @@ postprocess {
varset reps_type -value {}
varset nat_todo -value {}
varset qplot -value {}
varset dvscf_star_open -value {}
varset drho_star_open -value {}
}

8
GUI/PWgui/modules/ph/ph.tcl
View File

@ -222,6 +222,7 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
-value {.true. .false.}
-widget radiobox
}
group dvscf_star_specs -decor none {
var dvscf_star_dir {
-variable dvscf_star%dir
-label "Directory where to store rotated dvscf files (dvscf_star%dir):"
@ -249,12 +250,13 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
}
var dvscf_star_pat {
-variable dvscf_star%pat
-label "Save displacement patterns and q vector for each dvscf file (dvscf_star%pat):"
-label "Save displacement patterns and q vector (dvscf_star%pat):"
-textvalue {Yes No}
-value {.true. .false.}
-widget radiobox
}
}
}
##separator -label "--- Perturbation of the charge density ---"
@ -269,6 +271,7 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
-value {.true. .false.}
-widget radiobox
}
group drho_star_specs -decor none {
var drho_star_dir {
-variable drho_star%dir
-label "Directory where to store rotated drho files (drho_star%dir):"
@ -296,13 +299,14 @@ module PH\#auto -title "PWSCF GUI: module PH.x" -script {
}
var drho_star_pat {
-variable drho_star%pat
-label "Save displacement patterns and q vector for each drho file (drho_star%pat):"
-label "Save displacement patterns and q vector (drho_star%pat):"
-textvalue {Yes No}
-value {.true. .false.}
-widget radiobox
}
}
}
}
page misc -name "Control options" {