Code

typewise cutoffs#660

Code

Merged

brucefan1983 merged 14 commits intomasterbrucefan1983/GPUMD:masterfrom type_cutoffbrucefan1983/GPUMD:type_cutoffCopy head branch name to clipboardJul 5, 2024

+859-957

Commits

Commits on Jun 29, 2024

• enable tyepwise cutoff in nep training

  brucefan1983

  committed
  2f81eff

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• fix indexing

  brucefan1983

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  28470f6

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• use typewise cutoff for neighbor list

  brucefan1983

  committed
  31e41a8

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• correct report

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  37d8b96

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Commits on Jul 3, 2024

• remove NEP2 in train part

  brucefan1983

  committed
  5ca9d36

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• remove NEP2 in MD part

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  committed
  a1430da

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Commits on Jul 4, 2024

• enable typewise cutoff in MD

  brucefan1983

  committed
  2dcdc1c

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• only output info when needed

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  committed
  c28beb2

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• MD part of ZBL typewise cutoff

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  committed
  42107ba

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Commits on Jul 5, 2024

• reduce typewise zbl cutoff from 0.7 to 0.6

  brucefan1983

  committed
  9e728a7

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• use typewise cutoff for nep and zbl separately

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  committed
  cfaa9da

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• fix typo in comments

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  3f8d461

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• doc for use_typewise_cutoff

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  6ccbbe9

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• fix typos in doc

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  e1eb104

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