Fix: align NumPy/PyTorch backends with C++ backend for dI/dV - #69
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GianmarcoMidena wants to merge 9 commits into
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…d Si(7x7) examples (#66)
…yTorch backends (#66)
Add py, px, dyz, dxz orbital types to verify consistency between C++ and other backends in dI/dV calculations.
Body: - checks C++ vs alternative dI/dV backends - covers single-orbital tip/sample pairs for the intended sp/spd combinations
Correct bugs in NumPy and PyTorch backends that caused incorrect results when computing dI/dV for px/py tip orbitals with d-orbital samples.
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Closes #66