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Commits on Jun 28, 2022

• fix: fix warning_quit in md restart

  YuLiu98

  committed
  6f37fcc

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Commits on Jun 8, 2022

• refactor: update docs and check for MD parameters

  YuLiu98

  committed
  a2d0bef

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Commits on Jun 6, 2022

• fix : bcast unitcell in MSST

  YuLiu98

  committed
  25e36ab

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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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• pass boolean by value instead of by reference

  YuLiu98

  committed
  0ee57e3

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• fix : fix md bug when cal_stress=0

  YuLiu98

  committed
  d569e38

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Commits on May 24, 2022

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

  YuLiu98

  committed
  64d0eda

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• feature : add continuous writing function for running_md.log when

  Show description for f07eaf9
  YuLiu98

  committed
  f07eaf9

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• fix: a bug that MD stuck

  Show description for 61fd8ec
  Qianruipku

  committed
  61fd8ec

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Commits on Apr 19, 2022

• refactor(md): update output format of MD.

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  YuLiu98

  committed
  4afeb3b

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Commits on Apr 15, 2022

• Fix: variable not initialized in for-loop

  caic99

  committed
  e853aeb

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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 24, 2022

• < refactor >

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  Qianruipku

  committed
  7e17d27

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Commits on Jan 19, 2022

• refactor : modified mpi.h include path

  dyzheng

  committed
  ce39271

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

  dyzheng

  committed
  7863cbb

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Commits on Jan 18, 2022

• refactor : remove parallel_common.h from tools.h

  dyzheng

  committed
  d3c72ad

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Commits on Dec 12, 2021

• < refactor > reconstruction of AIMD in pw

  YuLiu98

  committed
  c15b4bf

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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 29, 2021

• < feature > add restart function for NVE and MSST

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  YuLiu98

  committed
  2882218

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Commits on Nov 26, 2021

• < feature > second half of MSST

  YuLiu98

  committed
  572c2d7

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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 23, 2021

• add input parameters for MSST

  YuLiu98

  committed
  66a71d4

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