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support calculator lists #240

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alinelena opened this issue Aug 2, 2024 · 1 comment · May be fixed by #346
Open

support calculator lists #240

alinelena opened this issue Aug 2, 2024 · 1 comment · May be fixed by #346
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enhancement New/improved feature or request
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@alinelena
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will be nice to be able to support for a structure, structures calculator lists.

eg, I want to have for a system, energies, forces stresses with mace and sevennet
we will need to think of best approach
@ElliottKasoar
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We may be able to extend/subclass one of the mixing calculator classes, or at least implement something similar to the Mixer base class, without the need for weights.

@ElliottKasoar ElliottKasoar added enhancement New/improved feature or request janus and removed janus labels Aug 2, 2024
@ElliottKasoar ElliottKasoar mentioned this issue Oct 22, 2024
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@ElliottKasoar ElliottKasoar linked a pull request Nov 5, 2024 that will close this issue
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@ElliottKasoar ElliottKasoar linked a pull request Nov 29, 2024 that will close this issue
Add calculator lists #346
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Add calculator lists ElliottKasoar/janus-core
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@alinelena @ElliottKasoar