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babbush / HistoricalFermiLib

This is repo where we developed FermiLib, which then became OpenFermion
Apache License 2.0
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Global config file #34

Closed babbush closed 7 years ago

babbush commented 7 years ago

Throughout the code there are a few variables that we should really have in a global config file. I believe that the location of the /data/ directory as well as the tolerance parameter in LocalTerms/LocalOperators/ used in deciding whether to consider numbers as zero or not are examples of this. Maybe even whether to use Psi4 or pyscf as the default parameters.

Perhaps Wei can help with this when he gets a chance but I want to make sure this is okay with Damian.

Spaceenter commented 7 years ago

This probably is the best practice: http://stackoverflow.com/questions/1383239/can-i-use-init-py-to-define-global-variables @babbush @damiansteiger

Spaceenter commented 7 years ago

I see the tolerance in LocalTerm and LocalOperator is 1e-10 instead of 1e-12 as others (which are now moved to config.py) - is there a reason for the difference?

damiansteiger commented 7 years ago

No. Go ahead with 1e-12 everywhere.

Spaceenter commented 7 years ago

Sent a pull request for this.

Please let me know for other constants to put into config.