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* Add beginnings of LibECPInt external build infrastructure * Add (broken) libECP energy calls * Apply fix to code suggested by RAS, more debug info * Fix order order of l and n * Apply suggestions from @robashaw, which fix the energies * Remove old ECP implementation * Implement analytic ECP gradients * Make ECP gradients a little more efficient * Initial ECP skeleton second derivative implementation * Correct bookkeeping errors, and second derivative call * Rebase to L2 codebase * SCF ECP test and auto libecpint build working * Reimplement spherical transform * Implement RHF and UHF ECP Hessians * ecpint testing marks and optional * ecp allow disabled, add ecosys gha * ci 1 * ci 2 * ci 3 * relax cppe+ecp to rest of file. remove extra ecp build Co-authored-by: Lori A. Burns <[email protected]>
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