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Any chance you might add an (optional) way to get analytical derivatives for the noise result?
Derivatives are handy because they tell you the ”slope” of the noise, which is incredibly useful for u…
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This will not be easy and it will take times.
Right now, as time is limited, I'm thinking about doing one level at a time.
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Hi when i try to simulate ControlledTemperature as ME in fmi 3 i get a crash when i call freeInstance.
 and western shore (t…
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I'm wondering why in the budget optimizer analytical gradients are not used instead of finite difference since they are faster and more accurate. With large dataset finite difference doesn't seem feas…
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Right now we only provide the PengRobinson76 EoS both with analytical and automatic derivatives. We need to extend this more to more models
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Hello，I have a question about QR and calculation of partial derivatives. Say I have a input A(x), it is a m×n matrix and x={x1,x2,x3,...xn} is argument. Q is the orthonormal basis of the A(x), namely …
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Good idea for checking analytical derivatives to high accuracy.
* also get an estimation of the numerical error
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Seems like there's a bug that hangs computations of SOAP descriptors when the input ASE trajectory snapshots have calculators assigned.
Tried with dscribe 1.2.1.
```python
for mol in mol_traj:
…
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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…