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48c27eb47e
that is smaller than the size of the Slater-matrix * Removed the Slater-matrix as an argument, since it is not used in the algo. * Added a manual 4x4 example to debug MaponiA3 to work with a number of updates that is smaller than the size of the Slater-matrix * Added a new Octave script to quickly check if the computes inverse is correct.
13 lines
308 B
Mathematica
13 lines
308 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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det(Sold*transpose(Sold_inv))
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trace(Sold*transpose(Sold_inv))
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norm(Sold*transpose(Sold_inv))
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det(S*transpose(S_inv))
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trace(S*transpose(S_inv))
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norm(S*transpose(S_inv))
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