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theochem / fanpy

Projectively-optimized geminal and "fancyCI" wavefunctions
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Organise Hamiltonian module #73

Closed kimt33 closed 5 years ago

kimt33 commented 6 years ago

Following changes were made:

  1. Move around methods for cleaner inheritance (specifically integrate_wfn_sd and _update_integrals)
  2. Add FIXME's regarding derivative index of composite wavefunction and hamiltonian.
  3. Turn assign_integrals from abstract method to raising NotImplementedError