initial commit of nambu code #877
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Added matrix codes to create the Nambu Hamiltonian. This required restructuring the diag fold_csr matrix codes. Now they can be given a number to determine the number of elements that are added. It generalizes the code a bit. Currently the matrix creation does not implement the no-phase code-path. So Gamma-point is not functional. Changed some of the cython codes to use preprocessors at the comment level at the top of the file. It makes it much simpler to debug. Enabled siesta routines to read the matrices with Nambu spin configuration. Signed-off-by: Nick Papior <nickpapior@gmail.com>
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| @@ -59,30 +66,42 @@ | |||
| assert s2 > s1 | |||
| assert s3 > s2 | |||
| assert s4 > s3 | |||
| assert s5 > s4 | |||
Check warning
Code scanning / CodeQL
Redundant comparison Warning test
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| assert s2 >= s1 | ||
| assert s3 >= s2 | ||
| assert s4 >= s3 | ||
| assert s5 >= s4 |
Check warning
Code scanning / CodeQL
Redundant comparison Warning test
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #877 +/- ##
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- Coverage 86.95% 86.81% -0.14%
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Files 405 405
Lines 52714 52972 +258
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+ Hits 45838 45990 +152
- Misses 6876 6982 +106 ☔ View full report in Codecov by Sentry. |
- nambu PDOS - nambu transpose - nambu berry-phase stuff works - nambu trs is *NOT* implemented. Added more tests for complex data-types which has been completed in this branch. Signed-off-by: Nick Papior <nickpapior@gmail.com>
Signed-off-by: Nick Papior <nickpapior@gmail.com>
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I am a little inclined to merge this, it holds many other details that are necessary. For now I'll add a warning when using Nambu spin-configuration, and then users needs to be aware, but I would still like you, the experienced users, to bug-track this! |
Signed-off-by: Nick Papior <nickpapior@gmail.com>
Added matrix codes to create the Nambu
Hamiltonian.
This required restructuring the diag
fold_csr matrix codes. Now they can be given
a number to determine the number of elements
that are added. It generalizes the code a bit.
Currently the matrix creation does not implement
the no-phase code-path. So Gamma-point is not functional.
Changed some of the cython codes to use preprocessors at the comment level at the top of the file.
It makes it much simpler to debug.
Enabled siesta routines to read the matrices
with Nambu spin configuration.
docs/CHANGELOG.md