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b2b4756b53
TODO: Calls from C/C++ are still broken because inside the MaponiA3 algo there is compensation for the fact that Fortran sends it's arrays in column-major order. This must be resolved by transposeing S_inv before it is passed to MaponiA3 and remove the compensations made there.
21 lines
814 B
Mathematica
21 lines
814 B
Mathematica
Sold = dlmread('Slater_old.dat');
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Sold_inv = dlmread('Slater_old_inv.dat');
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S = dlmread('Slater.dat');
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S_inv = dlmread('Slater_inv.dat');
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printf("\n")
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printf("======================================\n")
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printf("OLD Slater-matrix and inverse\n")
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printf("--------------------------------------\n")
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printf("Determinant of S x S_inv : %f\n", det(Sold*Sold_inv))
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printf("Trace of S x S_inv : %f\n", trace(Sold*Sold_inv))
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printf("Norm of S x S_inv : %f\n", norm(Sold*Sold_inv))
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printf("\n")
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printf("NEW Slater-matrix and inverse\n")
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printf("--------------------------------------\n")
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printf("Determinant of S x S_inv : %f\n", det(S*S_inv))
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printf("Trace of S x S_inv : %f\n", trace(S*S_inv))
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printf("Norm of S x S_inv : %f\n", norm(S*S_inv))
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printf("======================================\n")
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