mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 20:34:38 +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.
5192 lines
276 KiB
Plaintext
5192 lines
276 KiB
Plaintext
1 27 32 5
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ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxy
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ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dyz
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ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dz2
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ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxz
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ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dx2-y2
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1 27 31 2 -0.0604385068 -0.0334189692
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1 27 31 3 0.0000022026 -0.0000012901
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1 27 31 4 -0.0604482706 -0.0334096999
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1 27 31 5 0.0000024924 -0.0000024781
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1 27 32 1 -0.0692152223 0.0542388998
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1 27 32 2 0.0693401134 -0.0722238415
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1 27 32 3 -0.0305249648 0.0239205543
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1 27 32 4 -0.0001285284 0.0179839165
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1 27 32 5 0.0176882867 -0.0229694917
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