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Hopefully got compute_born_matrix numdiff method working. Also added two BORN_MATRIX examples.

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Germain Clavier
2022-02-08 16:40:52 +01:00
parent ba89ad546a
commit 9833e5bc66
19 changed files with 200696 additions and 38 deletions
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examples/BORN_MATRIX/Numdiff/full_matrix.out Normal file
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# Cij Matrix from post process computation
2.29922 1.17439 1.20854 -0.01653 -0.01684 0.01188
1.17439 2.20673 1.21718 -0.00781 -0.00753 0.00867
1.20854 1.21718 2.30804 0.01535 -0.01596 0.00426
-0.01653 -0.00781 0.01535 1.47647 -0.01355 -0.01601
-0.01684 -0.00753 -0.01596 -0.01355 1.37905 0.01975
0.01188 0.00867 0.00426 -0.01601 0.01975 1.40170