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Searched refs:acoeff_diff (Results 1 – 2 of 2) sorted by relevance

/dports/science/bagel/bagel-1.2.2/src/grad/
H A Dfinite.cc189 auto acoeff_diff = make_shared<Matrix>(*acoeff_plus - *acoeff_minus); in compute() local
190 acoeff_diff->scale(1.0 / (2.0 * dx_)); in compute()
193 auto Uij = make_shared<Matrix>(*acoeff_ref % *Smn * *acoeff_diff); in compute()
/dports/science/bagel/bagel-1.2.2/src/smith/
H A Dcaspt2energy.cc220 auto acoeff_diff = make_shared<Matrix>(coeff_diff->slice(nclosed, nocc)); in compute() local
223 auto Uij = make_shared<Matrix>(*acoeff_ref % *Smn * *acoeff_diff); in compute()