Code

Isolated at en#18

Code

Merged

FNTwin merged 22 commits intomainvalence-labs/OpenQDC:mainfrom isolated_at_envalence-labs/OpenQDC:isolated_at_enCopy head branch name to clipboardNov 2, 2023

+3,201-222

Commits

Commits on Oct 20, 2023

• Docs, atom En, others

  FNTwin

  committed
  1d1d2f3

• Merged main

  FNTwin

  committed
  c71d065

• Tutorial

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  committed
  9d61d0b

• Clean

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  494b288

Commits on Oct 24, 2023

• Isolated Atom En

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  committed
  3bf26d4

• Factory simple test

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  committed
  ca1fa38

Commits on Oct 26, 2023

• Lazy loading

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  3949411

• Cache selection

  FNTwin

  committed
  41c871a

Commits on Oct 27, 2023

• Fixed units + cache + utils to write extxyz

  FNTwin

  committed
  ebf9464

• WIP merged main into branch

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  ade0346

Commits on Oct 30, 2023

• e0 new routine

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  928716b

• Increased chem space

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  ae4f482

• e0 optimization

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  d2a002a

• indexing by column

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  07008cd

• Ttm2.1 clarity

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  0bfc2f1

Commits on Oct 31, 2023

• Doc

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  bfc5891

• fix

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  2697081

• updated env file + fix

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  422609a

• added missing unit conversiation

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  20f873d

• Duplicated ccsd(t) to tccsd(t)

  FNTwin

  committed
  63ae525

• So many silly mistakes

  FNTwin

  committed
  9be6fdf

Commits on Nov 2, 2023

• Docs + list of idx for soap

  FNTwin

  committed
  fff91e4