Reintroduce kvectors cache #41
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You may want to benchmarlk/check this, it was completely negligible in rascaline's LODE. This implementation might behave differently though! |
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I did and also here it makes no difference. But, I had the code ready in the past and just copied it over. Maybe I remove the cache it only leave the new class design... |
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After I looked through the code again, we may even stick to the function as before. Does not really makes sense to use classes here... |
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Porting back kvector caching from #7 into the new code introduced in #15.
As discussed in #40. This will give some speedup when computing the potential several times for the same cell.
Merge after #40 !
📚 Documentation preview 📚: https://torch-pme--41.org.readthedocs.build/en/41/