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Please check these boxes before submitting your issue, thank you!
- [x] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else
- [x] if you are installing from the…
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Dear BioSimSpace developer
I ran the workshops/advanced/alchemistry/answers/alchemistry_setup_solution.ipynb notebook.
The outputs were saved to gromacs format.
I viewed the gro file with VMD, bu…
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Hello, @MatthewVance ,
In [another issue thread](https://github.com/MatthewVance/unbound-docker-rpi/issues/9) (thanks again for all your help over there!), you provided this sample unbound.conf fil…
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I am new to ProSelfLC. Thank you very much! @XinshaoAmosWang
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As stated on the [libgit2](https://libgit2.org/) project:
is a portable, pure C implementation of the Git core methods provided as a re-entrant linkable library with a solid API, allowing you to wr…
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How to check the GP hyperparameters (kernel lengthscale, kernel variance, likelihood variance)?
A suggestion: Opening the GitHub discussions tab would be useful for such queries.
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The distributed optimizer does gradient averaging across processes before applying locally. Instead of this, if we do routine single process minimisation and update parameters and then do parameter av…
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Hi,
I was wondering which parameters (from the list we can us in the command line) are used when the interactions are calculated on the webserver? i.e. if there is energy minimisation of the hydrog…
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This is exciting, but kinda not without the _entire_ pipeline open-sourced and available for wide usage. Would you (all) consider making this available - rather than EUs having to best-guess how it w…
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Hi @fserra, sorry for making issue #395 so long and leaving problems that is not relevant to the topic. So I open this new issue.
I realize that the three constraints in #395 imply that all decisio…