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The Hessian of a function f is a symmetric matrix if f is smooth enough.
Is there a way of having this information made available? I guess not just by returning a SymmetricMatrix, due to type stabili…
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## ❓ Questions and Help
Hi, I'm doing pose graph optimization with theseus. I get the following error:
```
4294 Traceback (most recent call last):
4295 File "/home/stud/lxuh/LoopClosure_for_…
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Hessian test is constructed to avoid problems when the INLA solver stack in negative eigenvalues, to avoid it we can work on the length iteration steps. The test can be implemented through a `while` t…
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Only Gaussian and Q-Chem have gradients, and only Molpro and Q-Chem have Hessians.
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```
What steps will reproduce the problem?
1. Server site
1.1 Create TestAPI.java interface
[Source code]
---------------
public interface TestAPI {
public String getMessage(String name);
}
------…
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Hi,
I tried adapting the TDSCF example [https://github.com/fishjojo/pyscfad/blob/main/examples/tdscf/00-cis_nuc_grad.py](https://github.com/fishjojo/pyscfad/blob/main/examples/tdscf/00-cis_nuc_grad…
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```
What steps will reproduce the problem?
1. Server site
1.1 Create TestAPI.java interface
[Source code]
---------------
public interface TestAPI {
public String getMessage(String name);
}
------…
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I am looking to compute atomization enthalpies with through QCEngine and found it is not yet supported.
What's the route forward to adding support for Hessian calculations? I am not too familiar wi…
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Hello,
thank you for this fantastic product. The more I am using it, the more I'm enjoying it. But I'm new and not aware of all the intricacies. So I am bumped again. I have two questions:
a) is t…
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Hello,
I've been playing around with `autograd` and I'm having a blast. However I'm having some difficulty with extracting the diagonal of the Hessian.
This is my current code:
```python
fro…