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FIX of BUG FIX RMD + ADMM + LSD (#4749)

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marcella 2026-01-28 14:36:48 +01:00 • committed by GitHub
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commit 7bb81b159f
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src/rt_propagation_forces.F
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@ -314,7 +314,7 @@ CONTAINS
CALL parallel_gemm("N", "T", naux, nao, nmo, -1.0_dp, tmp_aux_mo1(1), mos(re), 0.0_dp, &
tmp_aux_nao(1))
CALL parallel_gemm("N", "T", naux, nao, nmo, -1.0_dp, tmp_aux_mo1(im), mos(im), 1.0_dp, &
CALL parallel_gemm("N", "T", naux, nao, nmo, -1.0_dp, tmp_aux_mo1(2), mos(im), 1.0_dp, &
tmp_aux_nao(1))
CALL parallel_gemm("N", "T", naux, nao, nmo, 1.0_dp, tmp_aux_mo1(1), mos(im), 0.0_dp, &
tmp_aux_nao(2))