Code

Solver convergence#175

Code

Merged

apapapostolou merged 17 commits intoadc-connect:masteradc-connect/adcc:masterfrom apapapostolou:davidson_convergenceapapapostolou/adcc:davidson_convergenceCopy head branch name to clipboardOct 23, 2024

+103-124

Commits

Commits on Aug 8, 2024

• fix convergence checks

  apapapostolou

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  1af81d5

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• fix imported pyscf conv_tol

  apapapostolou

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  6eeb818

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Commits on Oct 10, 2024

• Merge branch 'master' into davidson_convergence

  apapapostolou

  committed
  aea32d9

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Commits on Oct 16, 2024

• make flake8 happy

  apapapostolou

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  de2e920

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Commits on Oct 17, 2024

• adjust n_iter_bound

  apapapostolou

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  a383949

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Commits on Oct 21, 2024

• update reference data

  apapapostolou

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  5de97f7

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• move reference data to agdreuw

  apapapostolou

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  22425ca

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• import actual scf conv_tol

  apapapostolou

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  32c986d

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• fix cn_sto3g adc1 reference data

  apapapostolou

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  12f05c1

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• change SHA256SUMS

  apapapostolou

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  82c3d11

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Commits on Oct 22, 2024

• Merge branch 'master' into davidson_convergence

  apapapostolou

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  f6babb6

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• relax conv_tol in atd tests

  apapapostolou

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  8182222

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• adjust n_iter to new conv_tol

  apapapostolou

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  dfba388

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• fix tests where davidson converges to zero

  apapapostolou

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  93d4613

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• fix cn_sto3g test

  apapapostolou

  committed
  c84ba7c

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Commits on Oct 23, 2024

• add xfail for cn_sto3g_adc1

  apapapostolou

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  93134f5

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• Merge branch 'master' into davidson_convergence

  apapapostolou

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  219ed06

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