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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.
9 lines
88 B
Plaintext
9 lines
88 B
Plaintext
*.o
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*.mod
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.vscode
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cMaponiA3_test*
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fMaponiA3_test*
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QMCChem_dataset_test
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Slater*
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Updates*
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