Ticket #41320: patch-tests-crystals.tcl.diff
File patch-tests-crystals.tcl.diff, 1.4 KB (added by dstrubbe (David Strubbe), 11 years ago) |
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tests/crystals.tcl
old new 6 6 7 7 {scripting::filter::pwscfOutput -oc $env(XCRYSDEN_TOPDIR)/examples/PWSCF_files/EthAl001-2x2.out 2 {1 13 2 6 3 1}} 8 8 9 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1}10 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1}11 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1}12 13 9 {scripting::filter::fhiInpini $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAs_inp.ini 3 {Gallium 31 Arsenic 33}} 14 10 {scripting::filter::fhiCoord $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAsSurface_coord.out 2 { 15 11 Gallium 31 Arsenic 33 hy_1.25 1 hy_0.75 1} … … 21 17 } { 22 18 eval scripting::exec $job 23 19 } 20 21 if { $system(c95_exist) != 0 } { 22 foreach job { 23 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1} 24 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1} 25 {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1} 26 } { 27 eval scripting::exec $job 28 } 29 } 24 30 } { 25 31 26 32 #if { [xcIsActive c95] } {