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testing_derivs

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@EricaCMitchell EricaCMitchell released this 23 Apr 20:53
· 209 commits to master since this release

Extended Cartesian multipole derivatives, allows you to bypass the SphericalMultipoleOper and actually enable the one-body properties.
Attached binary includes:

  • MAX_AM 5
  • MAX_DERIV_ORDER 2
  • F12 Integrals
  • One Body Properties
  • Max Multipole 4