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**Describe the feature you'd like**
Since we have the formulas available the complex 2C orbital gradient and Hessian, they can be implemented. This will prove very useful to also check simplified orb…
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subj.
I guess the code was written before `SymmetricTensor` was available.
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I thank reviewer 3 for raising this issue (rephrased by AHL):
The normalised curvature matrix [used to find the optimal value of alpha] is constructed numerically from chi2 using a forward Euler me…
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Hi @j-fu!
As of this morning's release, DifferentiationInterface is starting to look like a solid replacement for SparseDiffTools in the realm of sparse Jacobians and Hessians. Would you be intereste…
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The parameter for hessian option in `opt()` is `hessian` , but in the example code it becomes `hessians`, e.g. `o
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1. v9.1.0 compile failed
2. v9.2.0 can compiled success
3. /home/exwave/source/wave_equation_operations.cc:1735:18: required from here
/home/exwave/source/wave_equation_operations.cc:1094:39:…
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For Hessians, one can exploit symmetry in order to further reduce the number of computations that are necessary by finding and using a star coloring.
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Hello, thanks for the lovely and clean package!
I'm curious if you've considered adding a ``calc_hessian`` call to ``Engine()``, so that analytic Hessians might be employed where possible? I know `…
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I found very little documentation about this.
https://nlopt.readthedocs.io/en/stable/NLopt_Reference/#preconditioning-with-approximate-hessians
But that only explains the C interface, and says t…
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ADiGator (https://sourceforge.net/projects/adigator/) is free, open-source MATLAB software that computes vectorized gradients (and even Hessians) via automatic differentiation. It was developed by the…