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fleur
fleur
Commits
2b02837a
Commit
2b02837a
authored
Sep 30, 2019
by
Robin Hilgers
Browse files
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Modified Tests of inp.xml files to work without score and plplot switches
parent
270ac15d
Changes
32
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32 changed files
with
32 additions
and
32 deletions
+32
-32
tests/tests/Bi2Te3XML/files/inp.xml
tests/tests/Bi2Te3XML/files/inp.xml
+1
-1
tests/tests/CoMCDXML/files/inp.xml
tests/tests/CoMCDXML/files/inp.xml
+1
-1
tests/tests/CoMCDXML/files/inp2.xml
tests/tests/CoMCDXML/files/inp2.xml
+1
-1
tests/tests/CuBandXML/files/inp.xml
tests/tests/CuBandXML/files/inp.xml
+1
-1
tests/tests/CuBulkLibXC/files/inp.xml
tests/tests/CuBulkLibXC/files/inp.xml
+1
-1
tests/tests/CuBulkXML/files/inp.xml
tests/tests/CuBulkXML/files/inp.xml
+1
-1
tests/tests/CuDOSXML/files/inp.xml
tests/tests/CuDOSXML/files/inp.xml
+1
-1
tests/tests/CwannXML/files/inp.xml
tests/tests/CwannXML/files/inp.xml
+1
-1
tests/tests/CwannXML/files/wann_inp-1.xml
tests/tests/CwannXML/files/wann_inp-1.xml
+1
-1
tests/tests/CwannXML/files/wann_inp-2.xml
tests/tests/CwannXML/files/wann_inp-2.xml
+1
-1
tests/tests/Diamond_SCAN/files/inp.xml
tests/tests/Diamond_SCAN/files/inp.xml
+1
-1
tests/tests/Fe_1lXML/files/inp.xml
tests/tests/Fe_1lXML/files/inp.xml
+1
-1
tests/tests/Fe_1l_SOCXML/files/inp.xml
tests/tests/Fe_1l_SOCXML/files/inp.xml
+1
-1
tests/tests/Fe_bctXML/files/inp.xml
tests/tests/Fe_bctXML/files/inp.xml
+1
-1
tests/tests/Fe_bct_LOXML/files/inp.xml
tests/tests/Fe_bct_LOXML/files/inp.xml
+1
-1
tests/tests/Fe_bct_LibXC/files/inp.xml
tests/tests/Fe_bct_LibXC/files/inp.xml
+1
-1
tests/tests/Fe_bct_SOCXML/files/inp.xml
tests/tests/Fe_bct_SOCXML/files/inp.xml
+1
-1
tests/tests/Fe_fccXML/files/inp.xml
tests/tests/Fe_fccXML/files/inp.xml
+1
-1
tests/tests/GaAsMultiUForceXML/files/inp-2.xml
tests/tests/GaAsMultiUForceXML/files/inp-2.xml
+1
-1
tests/tests/GaAsMultiUForceXML/files/inp-3.xml
tests/tests/GaAsMultiUForceXML/files/inp-3.xml
+1
-1
tests/tests/GaAsMultiUForceXML/files/inp.xml
tests/tests/GaAsMultiUForceXML/files/inp.xml
+1
-1
tests/tests/NiO_ldauXML/files/inp.xml
tests/tests/NiO_ldauXML/files/inp.xml
+1
-1
tests/tests/PTO-SOCXML/files/inp.xml
tests/tests/PTO-SOCXML/files/inp.xml
+1
-1
tests/tests/PTOXML/files/inp.xml
tests/tests/PTOXML/files/inp.xml
+1
-1
tests/tests/SiFilmPlotXML/files/inp.xml
tests/tests/SiFilmPlotXML/files/inp.xml
+1
-1
tests/tests/SiFilmSlicePlotXML/files/inp-2.xml
tests/tests/SiFilmSlicePlotXML/files/inp-2.xml
+1
-1
tests/tests/SiFilmSlicePlotXML/files/inp-3.xml
tests/tests/SiFilmSlicePlotXML/files/inp-3.xml
+1
-1
tests/tests/SiFilmSlicePlotXML/files/inp.xml
tests/tests/SiFilmSlicePlotXML/files/inp.xml
+1
-1
tests/tests/SiHybridGamma/files/inp.xml
tests/tests/SiHybridGamma/files/inp.xml
+1
-1
tests/tests/SiLOXML/files/inp.xml
tests/tests/SiLOXML/files/inp.xml
+1
-1
tests/tests/TiO2eelsXML/files/inp-2.xml
tests/tests/TiO2eelsXML/files/inp-2.xml
+1
-1
tests/tests/TiO2eelsXML/files/inp.xml
tests/tests/TiO2eelsXML/files/inp.xml
+1
-1
No files found.
tests/tests/Bi2Te3XML/files/inp.xml
View file @
2b02837a
...
...
@@ -107,7 +107,7 @@
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</output>
...
...
tests/tests/CoMCDXML/files/inp.xml
View file @
2b02837a
...
...
@@ -55,7 +55,7 @@
<checks
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"-10.0"
energyUp=
"0.0"
/>
...
...
tests/tests/CoMCDXML/files/inp2.xml
View file @
2b02837a
...
...
@@ -55,7 +55,7 @@
<checks
vchk=
"F"
cdinf=
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/>
<densityOfStates
ndir=
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<magneticCircularDichroism
energyLo=
"-10.0"
energyUp=
"0.0"
/>
...
...
tests/tests/CuBandXML/files/inp.xml
View file @
2b02837a
...
...
@@ -47,7 +47,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
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</output>
...
...
tests/tests/CuBulkLibXC/files/inp.xml
View file @
2b02837a
...
...
@@ -46,7 +46,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
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<specialOutput
form66=
"F"
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"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/CuBulkXML/files/inp.xml
View file @
2b02837a
...
...
@@ -44,7 +44,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
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maxEnergy=
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locy2=
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<plotting
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/>
<specialOutput
form66=
"F"
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/CuDOSXML/files/inp.xml
View file @
2b02837a
...
...
@@ -44,7 +44,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"-1"
minEnergy=
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maxEnergy=
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<chargeDensitySlicing
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/>
<specialOutput
form66=
"F"
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/CwannXML/files/inp.xml
View file @
2b02837a
...
...
@@ -290,7 +290,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
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minEnergy=
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bmt=
"F"
/>
</output>
...
...
tests/tests/CwannXML/files/wann_inp-1.xml
View file @
2b02837a
...
...
@@ -290,7 +290,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
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...
...
tests/tests/CwannXML/files/wann_inp-2.xml
View file @
2b02837a
...
...
@@ -290,7 +290,7 @@
<checks
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...
...
tests/tests/Diamond_SCAN/files/inp.xml
View file @
2b02837a
...
...
@@ -48,7 +48,7 @@
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...
...
tests/tests/Fe_1lXML/files/inp.xml
View file @
2b02837a
...
...
@@ -40,7 +40,7 @@
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...
...
tests/tests/Fe_1l_SOCXML/files/inp.xml
View file @
2b02837a
...
...
@@ -40,7 +40,7 @@
<checks
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</output>
...
...
tests/tests/Fe_bctXML/files/inp.xml
View file @
2b02837a
...
...
@@ -49,7 +49,7 @@
<checks
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...
...
tests/tests/Fe_bct_LOXML/files/inp.xml
View file @
2b02837a
...
...
@@ -50,7 +50,7 @@
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bmt=
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</output>
...
...
tests/tests/Fe_bct_LibXC/files/inp.xml
View file @
2b02837a
...
...
@@ -51,7 +51,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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/>
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<specialOutput
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"F"
bmt=
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/>
</output>
...
...
tests/tests/Fe_bct_SOCXML/files/inp.xml
View file @
2b02837a
...
...
@@ -49,7 +49,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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<specialOutput
form66=
"F"
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/Fe_fccXML/files/inp.xml
View file @
2b02837a
...
...
@@ -49,7 +49,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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<specialOutput
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"F"
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"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/GaAsMultiUForceXML/files/inp-2.xml
View file @
2b02837a
...
...
@@ -56,7 +56,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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sigma=
".01500000"
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<vacuumDOS
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locx2=
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locy2=
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tworkf=
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<plotting
iplot=
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<plotting
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<chargeDensitySlicing
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<specialOutput
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/GaAsMultiUForceXML/files/inp-3.xml
View file @
2b02837a
...
...
@@ -57,7 +57,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
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"-.50000000"
maxEnergy=
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".01500000"
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<vacuumDOS
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integ=
"F"
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nstars=
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<plotting
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"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/GaAsMultiUForceXML/files/inp.xml
View file @
2b02837a
...
...
@@ -56,7 +56,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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<vacuumDOS
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integ=
"F"
star=
"F"
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locx1=
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<plotting
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"F"
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"F"
/>
</output>
...
...
tests/tests/NiO_ldauXML/files/inp.xml
View file @
2b02837a
...
...
@@ -66,7 +66,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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<vacuumDOS
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<plotting
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<specialOutput
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"F"
bmt=
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/>
</output>
...
...
tests/tests/PTO-SOCXML/files/inp.xml
View file @
2b02837a
...
...
@@ -65,7 +65,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
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sigma=
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<vacuumDOS
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"F"
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locy1=
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locx2=
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<plotting
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"F"
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<plotting
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/>
<chargeDensitySlicing
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nnne=
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pallst=
"F"
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<specialOutput
form66=
"F"
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/PTOXML/files/inp.xml
View file @
2b02837a
...
...
@@ -65,7 +65,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
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".01500000"
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<vacuumDOS
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"F"
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"F"
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<specialOutput
form66=
"F"
eonly=
"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/SiFilmPlotXML/files/inp.xml
View file @
2b02837a
...
...
@@ -51,7 +51,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
sigma=
".01500000"
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<vacuumDOS
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<specialOutput
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"F"
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"F"
/>
</output>
...
...
tests/tests/SiFilmSlicePlotXML/files/inp-2.xml
View file @
2b02837a
...
...
@@ -51,7 +51,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
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<densityOfStates
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"0"
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<specialOutput
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"F"
bmt=
"F"
/>
</output>
...
...
tests/tests/SiFilmSlicePlotXML/files/inp-3.xml
View file @
2b02837a
...
...
@@ -51,7 +51,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
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"0"
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<plotting
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<plotting
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<chargeDensitySlicing
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"F"
/>
</output>
...
...
tests/tests/SiFilmSlicePlotXML/files/inp.xml
View file @
2b02837a
...
...
@@ -51,7 +51,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
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<plotting
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<plotting
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<chargeDensitySlicing
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bmt=
"F"
/>
</output>
...
...
tests/tests/SiHybridGamma/files/inp.xml
View file @
2b02837a
...
...
@@ -49,7 +49,7 @@
<checks
vchk=
"F"
cdinf=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
sigma=
".01500000"
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<vacuumDOS
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"F"
nstars=
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locx1=
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locx2=
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locy2=
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<plotting
iplot=
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<plotting
iplot=
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<chargeDensitySlicing
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maxEigenval=
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<specialOutput
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"F"
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<magneticCircularDichroism
energyLo=
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energyUp=
".00000000"
/>
...
...
tests/tests/SiLOXML/files/inp.xml
View file @
2b02837a
...
...
@@ -47,7 +47,7 @@
<checks
vchk=
"F"
cdinf=
"F"
/>
<densityOfStates
ndir=
"0"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
sigma=
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<vacuumDOS
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integ=
"F"
star=
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nstars=
"0"
locx1=
".00000"
locy1=
".00000"
locx2=
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locy2=
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tworkf=
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<plotting
iplot=
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"F"
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<plotting
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<chargeDensitySlicing
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nnne=
"0"
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bmt=
"F"
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</output>
...
...
tests/tests/TiO2eelsXML/files/inp-2.xml
View file @
2b02837a
...
...
@@ -144,7 +144,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"-1"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
sigma=
".01500000"
/>
<vacuumDOS
layers=
"0"
integ=
"F"
star=
"F"
nstars=
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locx1=
".00000"
locy1=
".00000"
locx2=
".00000"
locy2=
".00000"
nstm=
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tworkf=
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<plotting
iplot=
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score=
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plplot=
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<plotting
iplot=
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/>
<chargeDensitySlicing
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"0"
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pallst=
"F"
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<specialOutput
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"F"
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"F"
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<coreSpectrum
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atomType=
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lmax=
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edgeType=
"L"
eMin=
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eMax=
"15.0"
numPoints=
"17"
verbose=
"T"
>
...
...
tests/tests/TiO2eelsXML/files/inp.xml
View file @
2b02837a
...
...
@@ -144,7 +144,7 @@
<checks
vchk=
"F"
cdinf=
"F"
disp=
"F"
/>
<densityOfStates
ndir=
"-1"
minEnergy=
"-.50000000"
maxEnergy=
".50000000"
sigma=
".01500000"
/>
<vacuumDOS
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".00000"
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<plotting
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<plotting
iplot=
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<chargeDensitySlicing
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<specialOutput
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"F"
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"F"
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<coreSpectrum
eKin=
"300.0"
atomType=
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lmax=
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edgeType=
"L"
eMin=
"-1.0"
eMax=
"15.0"
numPoints=
"17"
verbose=
"F"
>
...
...
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