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Here is the build version of the cookbook in this pull request: documentation.zip, you can view it locally by unzipping |
We need a better system that with a more striking contrast between nc and mts
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frostedoyster
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frostedoyster
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Are the Ni and Al structures still used?
The recipe looks good
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We could also set the verbosity level to "low". At the moment, a lot of redundant i-PI information is being printed in the recipe |
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No as far as I can tell they both have been removed. I'm using the BMIM-Cl example that is a very challenging one, and so gives large energy drift in a short time. |
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A recipe to run MD using non-conservative forces from PET-MAD, using MTS to avoid artefacts