Hamiltonian Rewrite - Githubissues

theochem / fanpy

Projectively-optimized geminal and "fancyCI" wavefunctions

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Hamiltonian Rewrite #61

Closed kimt33 closed 6 years ago

kimt33 commented 6 years ago

Following changes have been made:

Move integral backend into Hamiltonian class
Split off Hamiltonian by orbital type
Use numpy operations instead of some terrible if statement loop
Try to make integrate_sd_sd more efficient
Minor fixes/addition to slater module

kimt33 commented 6 years ago

Close #49