LCPQ/qp2
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2 Commits

Author SHA1 Message Date
eginer
bb23d6a5b5 Fixed the pt_charges bug: 
+ added the pt_charges integrals to the usual v_ne
  + added only the nuclei_pt_charge interaction to the usual nuclear_repulsion (and not the pt_charge_pt_charge interaction)
 2023-06-12 13:36:01 +02:00
eginer
766fabf1d2 point charges work 2023-02-07 12:50:33 +01:00