pyscf-ipu
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Add ipu specialised implementations of special functions used in experimental.integrals
The following special functions are used in the evaluation of electron integrals following the THO methods:
- factorial: could we just use the scipy impl? Not available in the v0.3 JAX that we are pinned to.
- factorial2: similar, to above: would prefer to use the scipy implementation.
- binom: same
Could you add a list of the needed functions? Assuming they are things like erfc
and inv_gamma
etc. Do you suspect we'll have to implement them in C?
I think some of the issues might go away by upgrading to 0.4 JAX (or at least there will probably be new issues). I think there should be some cmath functions that could be used at least for the gamma evaluation within the vertex but would need to be tested.