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Hi,
This is somewhat of an open issue. An eigenvalue decomposition is necessary for line mixing ECS computations to be effective. This is done. We also need partial derivatives w.r.t. user input…
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# Description of feature
When using a dense VLM mesh, `compute_partials` in some components (e.g., eval_mtx in aerodynamics) becomes a bottleneck for derivative computations. These partials can be …
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Hi, the example about the QM9 database is very illustrative for me to perform regression of molecular properties on my own dataset.
¿It would be possible to implement the computation of the deriva…
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Thoughts after questions from AmpLab staff Jey Kottalam:
So far we have been providing analytical expressions for the 4th spatial derivatives for the covariance kernel, it is possible for us to explor…
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It could be a good idea to include CoolProp. I hope you agree. CoolProp has many analytical partial derivatives and internal caching. We currently try to update ExternalMedia to work with the latest v…
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two ideas to better exploit the structure of the loglikelihood for possibly higher performance or higher accuracy
Currently we compute derivatives directly from the loglike.
- curse of dimension…
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**Abstract**
By default, CVODES uses an internal difference quotient function for dense and band matrices. Per user guide:
> If a matrix-based linear solver module is used (i.e., a non-NULL `S…
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Let's start with the advection equation in 1D
```
∂φ/∂t + u ∂φ/∂x = 0
```
where `u = constant` and `φ(x, t)` a tracer concentration.
- [ ] Start with a gaussian and advect it for time `t` s…
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Make WHAM go faster!
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# Inversion capabilities
=> [Inversion Milestone](https://github.com/emsig/empymod/milestone/10)
=> [invDev](https://github.com/emsig/devInv)
- [ ] Analytical gradient
- [ ] Jacobian
- [ ] A …