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Dear @smartie2076, please find a brief description of the energy model for powering healthcare facilities to be developed.
**Objective:** The main objective of the research work is to develop an …
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### Description
I'm using the _Built-in Dynamic Optimization using Annotations function_ to optimize my modelica models with OpenModelica. Earlier I used JModelica to optimize my models with IPOPT.…
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Take a look at example 7 here:
https://www.programcreek.com/python/example/110781/rdkit.Chem.AllChem.EmbedMolecule
Possibly an improvement to the SmilesWidget in aiidalab-widget-base.
But need a …
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Implement optimization of multiple states simultaneously as described in Entwistle et al. https://www.nature.com/articles/s41467-022-35534-5
The cost function for wave function `i` consists of the …
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Dear, Shankar,
I know that vasp and jdftx use different pseudopotentials, especially the implicit solvation model required in the constant-potential calculation of jdftx. Therefore, there are sligh…
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### Plugin(s)
- [ ] Android Foreground Service
- [ ] Android Battery Optimization
- [ ] App Update
- [ ] Background Task
- [ ] Badge
- [ ] Bluetooth Low Energy
- [ ] Cloudinary
- [ ] Datetim…
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In add_boundary_energy() with mask:
https://github.com/keras-team/keras-contrib/blob/5ffab172661411218e517a50170bb97760ea567b/keras_contrib/layers/crf.py#L401-L405
In this way the right_boundary wil…
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Hi,
Since torsion scanner really takes time and ANI convergence issues on optimisation, I'm wondering if qubekit can use gaussian/psi4 for optimization/hessian calculations, and then use ANI only for…
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This issue is related to "Compiler optimization deletes the bodies_energy function call in the nbody benchmark."
https://github.com/embench/embench-iot/issues/16
Issue 16 was resolved and preve…
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@brycestx would like the analysis tool to generate a simple JSON summary output of the most important statistics for meta-analysis/optimization. For example:
* serialized driver file location?
* run…