- Slagel-splitting in Maponi A3 is now working. A thourough analysis on the QMC=Chem datasets still has te be done.
- Acceptance tollerance in 'test_h5' on the residuals can be set at runtime now.
Since the dataset must be accessible from the CI runner, the best
solution is probably to commit a small dataset containing only the
required cycles. It's included in this commit, and can be generated by
extract-from-h5.py using the same cycles list as the one used by
vfc_test_h5.cpp.
Moreover, the probes exported by vfc_test_h5.cpp are now 0-padded, which
will result in a better sorting in the results.
* Started debugging reading from HDF5 formatted datasets. Slater_inv needs to be transposed before sent to Maponi. Algo fails at the last step. Correct Slater and Inverse fail to produce the identity matrix. Suspect that the matMul function is not working correctly eventhough it looks like it does.
