Addition of dipole/quadrupole gradient integrals#1
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Summary
Adds dipole and quadrupole gradient integrals with origins centered on the second shell:
int1e_ipr_origj_sphint1e_r_origj_ip_sphint1e_iprr_origj_sphint1e_rr_origj_ip_sphIncludes the generator definitions, generated implementations, and public declarations.