Code

merge devel branch into master#690

Code

Merged

amcadmus merged 14 commits intodeepmodeling:masterdeepmodeling/dpgen:masterfrom amcadmus:masteramcadmus/dpgen:masterCopy head branch name to clipboardMar 30, 2022

+8,122-143

Commits

Commits on Dec 15, 2021

• add the workflow of releasing to pypi (deepmodeling#620)

  njzjz

  authored
  591d26c

  Copy full SHA for 591d26c

Commits on Dec 30, 2021

• bug_fix | previous patch crashed (deepmodeling#626)

  Show description for 7a8ae82
  Vibsteamer

  authored
  7a8ae82

  Copy full SHA for 7a8ae82

Commits on Jan 4, 2022

• Added ABACUS pw interface for dpgen init_bulk (deepmodeling#590)

  Show description for b3db59d
  

  Liu-RX

  and

  LiuRenxi

  authored
  b3db59d

  Copy full SHA for b3db59d

Commits on Jan 22, 2022

• Add convert_mdata definition to fix simplify bug. (deepmodeling#634)

  AnguseZhang

  authored
  1564080

  Copy full SHA for 1564080

Commits on Feb 8, 2022

• Add minimize step with fix 1 all box/relax tri 0.0 to autotest/relax step (deepmodeling#631)

  Show description for 38f01c2
  

  6 peopleauthored
  38f01c2

  Copy full SHA for 38f01c2

Commits on Feb 20, 2022

• fix cp2k post fp numerical mismatch (deepmodeling#644)

  robinzyb

  authored
  304c7f7

  Copy full SHA for 304c7f7

Commits on Feb 24, 2022

• bug fix (deepmodeling#650)

  Show description for 7d2c1de
  

  salinelake

  and

  Pinchen Xie

  authored
  7d2c1de

  Copy full SHA for 7d2c1de

Commits on Mar 2, 2022

• Merge remote-tracking branch 'upstream/devel' into devel

  

  Han Wang

  committed
  9e3f176

  Copy full SHA for 9e3f176

Commits on Mar 15, 2022

• Update simplify.py for api > 1.0, and fix multi-suffixes bug . (deepmodeling#670)

  Show description for 6304b66
  cherushui

  authored
  6304b66

  Copy full SHA for 6304b66

Commits on Mar 24, 2022

• Make Autotest compatible with the new version of dpdispatcher. (deepmodeling#667)

  Show description for 8cd50da
  AnguseZhang

  authored
  8cd50da

  Copy full SHA for 8cd50da

Commits on Mar 30, 2022

• add deepmodeling banner to doc (deepmodeling#688)

  njzjz

  authored
  d30d557

  Copy full SHA for d30d557

• set the seed of type_embedding network (deepmodeling#689)

  Show description for be18580
  njzjz

  authored
  be18580

  Copy full SHA for be18580

• Merge remote-tracking branch 'upstream/devel' into devel

  

  Han Wang

  committed
  00a74ed

  Copy full SHA for 00a74ed

• Merge branch 'devel'

  

  Han Wang

  committed
  cedd26b

  Copy full SHA for cedd26b