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Updated Integrals_storage (markdown)

Anthony Scemama 2017-03-17 16:02:38 +01:00
parent a5e668b975
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Integrals_storage.md

@ -2,7 +2,7 @@ Two electron integrals are of the form (ij|kl), with permutation rules for the 4
It is not possible to store all the (ij|kl) integrals in memory under the form of a 4-dimensional
array, so we store instead all the non-zero integrals in a data structure, similar to a hash table.
We do use hash tables because :
We do not use hash tables because :
1. Rehashing the table as it grows is too costly
2. We need some locality if possible : (ij|kl) should be close to (ij|k l+1)