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theochem / fanpy

Projectively-optimized geminal and "fancyCI" wavefunctions
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Set useful default params for ChemicalHamiltonian #57

Closed kimt33 closed 6 years ago

kimt33 commented 7 years ago

Replace default parameter for ChemicalHamiltonian to something more meaningful. The code is a little messy because the parameters don't exist for generalized orbitals (b/c orbital rotation is not supported for generalized orbitals), but it should be clean after refactoring.