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MD support for all relevant parsers #55

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JFRudzinski opened this issue Jul 25, 2023 · 0 comments
Open

MD support for all relevant parsers #55

JFRudzinski opened this issue Jul 25, 2023 · 0 comments

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@JFRudzinski
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To my knowledge, only Gromacs, Lammps, and FHIaims parsers check for and tag MD simulations. For example, GULP does not correctly tag force field calculations: nomad-coe/nomad#64

We need to go systematically through the parsers and add support. It would be good to know which parsers are actually used to upload MD data and how often, so that we know where to prioritise our efforts.

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