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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: