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https://github.com/triqs/dft_tools
synced 2024-08-17 01:31:44 +02:00
![Oleg E. Peil](/assets/img/avatar_default.png)
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.
11 lines
688 B
Plaintext
11 lines
688 B
Plaintext
density matrix: [[[[ 0.48051805 -0.0005949 0.00000482 -0.00058152 -0.00000012]
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[-0.0005949 0.48106567 0.00000231 0.00070569 -0.00001428]
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[ 0.00000482 0.00000231 0.22376447 0.00000211 0.00000001]
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[-0.00058152 0.00070569 0.00000211 0.48455262 0.00001417]
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[-0.00000012 -0.00001428 0.00000001 0.00001417 0.22394773]]]]
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overlap matrix: [[[[ 0.8828321 0. -0. 0. -0. ]
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[ 0. 0.8828321 -0. 0. 0. ]
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[-0. -0. 0.4809965 -0. 0. ]
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[ 0. 0. -0. 0.88283211 -0. ]
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[-0. 0. 0. -0. 0.48082538]]]]
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