mirror of
https://github.com/triqs/dft_tools
synced 2024-07-28 16:14:02 +02:00
f994b82704
First of all, suite '_plotools' is now split into three separate suites '_plotools', '_proj_shell', '_proj_group', following the changes made into the structure of the code. Second, the two tests in 'test_projshells.py' have been fixed to conform to the recent modifications in the code and input files.
11 lines
688 B
Plaintext
11 lines
688 B
Plaintext
density matrix: [[[[ 0.48051804 -0.0005949 0.00000482 -0.00058151 -0.00000012]
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[-0.0005949 0.48106567 0.00000231 0.00070572 -0.00001428]
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[ 0.00000482 0.00000231 0.22376447 0.00000212 0. ]
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[-0.00058151 0.00070572 0.00000212 0.48455262 0.00001417]
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[-0.00000012 -0.00001428 0. 0.00001417 0.22394773]]]]
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overlap matrix: [[[[ 0.88283208 -0. 0. 0.00000001 -0.00000001]
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[-0. 0.8828321 -0. 0.00000001 -0. ]
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[ 0. -0. 0.48099651 -0. -0.00000001]
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[ 0.00000001 0.00000001 -0. 0.8828321 -0. ]
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[-0.00000001 -0. -0.00000001 -0. 0.48082539]]]]
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