Qiskit / qiskit-addon-dice-solver

An eigensolver used to scale up SQD chemistry workflows past 30 orbitals
https://qiskit.github.io/qiskit-addon-dice-solver
Apache License 2.0
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Write a solve_fermion function #24

Closed caleb-johnson closed 1 month ago

caleb-johnson commented 1 month ago

Write a function, solve_fermion, which is meant to plug in to SQD workflows. This will largely be the same as the current solve_dice function, but this function should mimic the interface of solve_fermion in SQD.

caleb-johnson commented 1 month ago

Although Dice wants an active space path, we can probably take the hcore and eri and make our own active space from those integrals using the pyscf.fcidump.from_integrals function, along with the tempfile package. This will allow us to mimic the SQD solver functionality, which I prefer to taking the path to the whole active space file

Similarly, we can use tempfile to create a working directory if one isn't passed, instead of making it a required positional argument.