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/dports/science/ergo/ergo-3.8/source/integrals/
H A Dintegrals_1el_potential.cc97 ergo_real centerOfChargeCoords[3]; member
240 currBox->centerOfChargeCoords[k] = cocSumList[k] / chargeSum; in create_nuclei_mm_tree()
245 currBox->centerOfChargeCoords[k] = currBox->basicBox.centerCoords[k]; in create_nuclei_mm_tree()
252 currBox->centerOfChargeCoords[k] = currBox->basicBox.centerCoords[k]; in create_nuclei_mm_tree()
262 ergo_real* multipolePointCoords = currBox->centerOfChargeCoords; in create_nuclei_mm_tree()