mirror of
https://github.com/triqs/dft_tools
synced 2024-12-24 13:23:37 +01:00
f86038a7fd
All imports inside the test cases refer now to paths relative to TRIQS python library path. For example, `import vaspio` is replaced with `import applications.dft.converters.plovasp.vasio` In this way all tests can be executed wtih `build_pytriqs` provided that the package is installed (the same practice as with other 'dft_tools' tests). Also, the underscore can now be removed from subdirectory names because there is no more conflict with module names.
273 lines
9.4 KiB
Plaintext
273 lines
9.4 KiB
Plaintext
nlm = 9
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1 1 1 1 2.00000
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1 0.0000000 0.0000000
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1 1 1 5 2.00000
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3 0.0000010 0.0000000
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9 -0.0000000 0.0000000
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1 1 1 6 2.00000
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1 -0.0000006 0.0000000
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2 -0.0000005 0.0000000
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3 -0.0000009 0.0000000
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4 -0.0000006 0.0000000
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5 0.5355566 0.0000000
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9 0.0000000 0.0000000
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1 1 1 7 2.00000
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1 0.0000003 0.0000000
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2 -0.0000010 0.0000000
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3 0.0000006 0.0000000
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4 0.0000010 0.0000000
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5 -0.0019230 0.0000000
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6 -0.5896138 0.0000000
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1 -0.0000006 0.0000000
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3 0.0000002 0.0000000
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5 -0.0000000 0.0000000
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1 1 1 9 0.00000
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1 0.0000013 0.0000000
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2 -0.0000007 0.0000000
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3 0.0000009 0.0000000
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4 0.0000001 0.0000000
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5 -0.0000001 0.0000000
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6 0.0000000 0.0000000
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8 0.0000000 0.0000000
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1 1 2 1 2.00000
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1 0.0000000 0.0000000
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2 0.6894316 0.0000000
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3 0.6894316 0.0000000
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4 0.0000003 0.0000000
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7 -0.0000003 0.0000000
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8 0.0000010 0.0000000
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9 0.0000001 0.0000000
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1 1 2 2 2.00000
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1 0.0000000 0.0000000
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2 0.0000002 0.0000000
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3 0.0000002 0.0000000
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4 -0.9184595 0.0000000
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5 0.0000008 0.0000000
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6 0.0000001 0.0000000
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7 -0.0000000 0.0000000
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9 0.0000000 0.0000000
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1 1 2 3 2.00000
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1 -0.0000000 0.0000000
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2 0.5870812 0.0000000
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3 -0.5870812 0.0000000
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4 -0.0000000 0.0000000
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6 0.0000006 0.0000000
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7 0.0000002 0.0000000
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8 -0.0000000 0.0000000
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1 1 2 4 2.00000
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1 0.0652648 0.0000000
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2 -0.0000003 0.0000000
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3 0.0000005 0.0000000
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4 0.0000015 0.0000000
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5 0.0000000 0.0000000
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1 1 2 5 2.00000
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1 0.0000012 0.0000000
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6 0.0000005 0.0000000
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1 -0.0000000 0.0000000
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2 0.0431911 0.0000000
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3 0.0431911 0.0000000
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4 -0.0000000 0.0000000
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1 -0.0242085 0.0000000
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2 0.0000003 0.0000000
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3 0.0000001 0.0000000
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4 -0.0000002 0.0000000
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5 -0.0000000 0.0000000
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6 0.1925365 0.0000000
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8 -0.0000000 0.0000000
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9 0.2472626 0.0000000
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1 1 2 8 0.00000
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1 0.0000019 0.0000000
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2 -0.0000001 0.0000000
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3 0.0000000 0.0000000
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6 0.0000033 0.0000000
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1 1 2 9 0.00000
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3 0.0000001 0.0000000
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1 1 3 1 2.00000
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1 -0.0000000 0.0000000
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2 -0.0607441 0.0000000
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3 -0.0633386 0.0000000
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5 -0.0000001 0.0000000
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6 0.0000001 0.0000000
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7 0.0000006 0.0000000
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8 0.0000000 0.0000000
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9 -0.0000004 0.0000000
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1 1 3 2 2.00000
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1 -0.0000000 0.0000000
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2 -0.2519223 0.0000000
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3 0.3270304 0.0000000
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4 -0.0742897 0.0000000
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5 0.0000000 0.0000000
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7 -0.0000011 0.0000000
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8 0.0000000 0.0000000
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9 0.0000008 0.0000000
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1 1 3 3 2.00000
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1 0.0000000 0.0000000
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2 0.1061079 0.0000000
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3 0.1572919 0.0000000
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4 -0.2623809 0.0000000
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5 -0.0000000 0.0000000
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6 0.0000000 0.0000000
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8 0.0000000 0.0000000
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9 -0.0000001 0.0000000
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1 1 3 4 2.00000
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1 -0.0000000 0.0000000
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2 0.0000000 0.0000000
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3 -0.0000000 0.0000000
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4 -0.0000001 0.0000000
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5 -0.0000000 0.0000000
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8 -0.0000000 0.0000000
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9 -0.5631694 0.0000000
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1 1 3 5 2.00000
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1 0.0000000 0.0000000
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2 -0.0000005 0.0000000
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3 0.0000006 0.0000000
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4 0.0000001 0.0000000
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5 -0.0000000 0.0000000
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6 0.0000000 0.0000000
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7 0.7211366 0.0000000
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8 0.0000000 0.0000000
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1 1 3 6 0.00000
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1 -0.0000010 0.0000000
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2 0.0000001 0.0000000
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3 -0.0000001 0.0000000
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4 0.0000003 0.0000000
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1 0.0000000 0.0000000
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2 0.0000001 0.0000000
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5 -0.6791375 0.0000000
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6 0.2412815 0.0000000
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7 -0.0000002 0.0000000
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8 0.3450642 0.0000000
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9 -0.0000001 0.0000000
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1 1 3 8 0.00000
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1 -0.0000000 0.0000000
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2 0.0000001 0.0000000
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3 -0.0000000 0.0000000
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4 0.0000002 0.0000000
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5 -0.0362770 0.0000000
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6 0.4965687 0.0000000
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7 -0.0000001 0.0000000
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8 -0.4630865 0.0000000
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9 0.0000001 0.0000000
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1 1 3 9 0.00000
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1 0.0000002 0.0000000
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2 0.0137783 0.0000000
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3 -0.0194955 0.0000000
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4 -0.0003781 0.0000000
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5 -0.0000000 0.0000000
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6 0.0000000 0.0000000
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7 -0.0000001 0.0000000
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8 0.0000000 0.0000000
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9 0.0000000 0.0000000
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