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FermiQC / Fermi.jl

Fermi quantum chemistry program
MIT License
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can't pass arguments to `@energy` #28

Closed mdav2 closed 4 years ago

mdav2 commented 4 years ago

We should be able to do something like

@set basis cc-pvdz
wf1 = @energy rhf
wf2 = @energy rhf <- wf1

to read in starting wfs.

mdav2 commented 4 years ago

This should work for CC and CI as well as HF.

gustavojra commented 4 years ago

Waiting #40 to solve this one

gustavojra commented 4 years ago

Fixed #39