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Fixed example 'simple' and corresponding tests

Browse Source 
The calculation of the example was redone to generate LOCPROJ
in a new format (valid starting from VASP 5.4.2).
This commit is contained in:
Oleg E. Peil 2015-11-30 19:52:38 +01:00
parent 1fd2a1af6a
commit 3ccb047329
8 changed files with 6878 additions and 3739 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

666
python/converters/plovasp/examples/simple/DOSCAR
View File

@ -3,7 +3,7 @@
1.000000000000000E-004
CAR
unknown system
13.00000000 -2.00000000 501 7.60877984 1.00000000
13.00000000 -2.00000000 501 7.60874112 1.00000000
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512
python/converters/plovasp/examples/simple/EIGENVAL
View File

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2822
python/converters/plovasp/examples/simple/LOCPROJ
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2615
python/converters/plovasp/examples/simple/POTCAR Normal file
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2
python/converters/plovasp/test/_proj_group/runtest.sh
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@ -1 +1 @@
PYTHONPATH=../..:../../../../c:$PYTHONPATH python $1
PYTHONPATH=../..:../../../../../c:$PYTHONPATH python $1

666
python/converters/plovasp/test/_proj_group/simple/DOSCAR
View File

@ -3,7 +3,7 @@
1.000000000000000E-004
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unknown system
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512
python/converters/plovasp/test/_proj_group/simple/EIGENVAL
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