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Commits on Aug 15, 2022

• refactor : replace test_just_neighbour keyword

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  wenfei-li

  committed
  d35a496

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Commits on Jun 22, 2022

• merge develop branch

  Qianruipku

  committed
  a619783

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Commits on Jun 5, 2022

• fix wrong time for some functions

  Qianruipku

  committed
  8cba469

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Commits on May 31, 2022

• Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop into develop

  YuLiu98

  committed
  7dd4910

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Commits on May 30, 2022

• fix a bug that different cores have different scale that make MD stuck

  Qianruipku

  committed
  0a76c78

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• fix : fix md bug when cal_stress=0

  YuLiu98

  committed
  d569e38

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Commits on May 26, 2022

• refactor : update the output format of MD

  YuLiu98

  committed
  473b53c

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Commits on May 24, 2022

• Merge pull request #938 from Qianruipku/hotfix

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  mohanchen

  authored
  bb3f69c

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• fix: a bug that MD stuck

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  Qianruipku

  committed
  61fd8ec

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Commits on May 23, 2022

• fix : convert setw() to space in output of MD_dump

  YuLiu98

  committed
  ceaf893

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Commits on May 4, 2022

• move orb_con, RA, LOC, LOWF, LM, UHM into ESolver_KS_LCAO; add cal_DOS to ESolver; remove final_scf

  maki49

  committed
  bd0b830

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Commits on Apr 12, 2022

• rewrite function of MD_dump

  YuLiu98

  committed
  68d414b

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Commits on Mar 28, 2022

• Refactor INPUT parameters

  YuLiu98

  committed
  4dce639

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Commits on Mar 12, 2022

• merge TDDFT and solve conflicts

  maki49

  committed
  135578e

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Commits on Mar 7, 2022

• Merge TDDFT branch

  Qianruipku

  committed
  a9ea2a3

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• Change name En_Solver to ESolver

  Qianruipku

  committed
  fa1dae5

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Commits on Mar 2, 2022

• Refactor : refactor md input parameters

  YuLiu98

  committed
  0747765

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Commits on Feb 26, 2022

• merge pw_refactor and solve conflicts

  maki49

  committed
  dab3d27

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Commits on Feb 25, 2022

• tear down GlobalC::LNNR

  maki49

  committed
  3e3ccb0

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Commits on Feb 24, 2022

• < refactor >

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  Qianruipku

  committed
  7e17d27

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• move 2d-divide-funcs into ORB_control; pack varables as struct

  maki49

  committed
  3d4fe72

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Commits on Jan 19, 2022

• refactor : removed timer.h in tools.h, only two headers left

  dyzheng

  committed
  7863cbb

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Commits on Dec 17, 2021

• < refactor > update MD dump format

  YuLiu98

  committed
  59d0845

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• < refactor > delete useless MD INPUT parameters and functions

  YuLiu98

  committed
  229b999

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Commits on Dec 14, 2021

• < refactor > reconstuction of MD in lcao

  YuLiu98

  committed
  530ebef

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Commits on Dec 12, 2021

• < refactor > reconstruction of AIMD in pw

  YuLiu98

  committed
  c15b4bf

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Commits on Dec 3, 2021

• < feature > NVT Anderson reconstruction

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  YuLiu98

  committed
  a4f6266

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Commits on Dec 2, 2021

• < fix > update freedom calculation

  YuLiu98

  committed
  ba905bd

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• < fix > modify the calculation of freedom to solve issue #497

  YuLiu98

  committed
  705ac8c

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• < refactor > update MD dump format

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  YuLiu98

  committed
  422489f

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Commits on Nov 30, 2021

• < fix > Destructor of Verlet

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  YuLiu98

  committed
  0d74a74

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• < refactor > update the MD STRU output

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  YuLiu98

  committed
  2d08053

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Commits on Nov 25, 2021

• implement of MSST first half && modify some functions

  YuLiu98

  committed
  4484152

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Commits on Nov 22, 2021

• reconstruction of NVE

  YuLiu98

  committed
  27405aa

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Commits on Nov 19, 2021

• initial reconstruction of NVE

  YuLiu98

  committed
  d1382ca

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