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https://github.com/LCPQ/quantum_package
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Fixed MRCC
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61fd771687
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@ -787,7 +787,6 @@ END_PROVIDER
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if (res > resold) then
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if (res > resold) then
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factor = factor * 0.5d0
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factor = factor * 0.5d0
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endif
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endif
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resold = res
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if(iand(k, 127) == 0) then
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if(iand(k, 127) == 0) then
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print *, k, res, 1.d0 - res/resold
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print *, k, res, 1.d0 - res/resold
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@ -796,6 +795,7 @@ END_PROVIDER
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if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then
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if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then
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exit
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exit
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endif
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endif
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resold = res
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end do
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end do
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dIj_unique(1:size(X), s) = X(1:size(X))
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dIj_unique(1:size(X), s) = X(1:size(X))
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