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Add Atomic Partitionings #70

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wavefunction91 wants to merge 1 commit intomasterfrom
feature/atomic_partitioning
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Add Atomic Partitionings #70
wavefunction91 wants to merge 1 commit intomasterfrom
feature/atomic_partitioning

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@wavefunction91 wavefunction91 commented Aug 9, 2023

Closes #60
Closes #68

Adds:

  • Becke algorithm
  • SSF algorithm
  • LKO algorithm
  • Delley algorithm
  • FPV algorithm

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Add Atomic Partitioning Weight Modifications Delley partitioning

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