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Commits on Sep 30, 2022

• Feature: print version number in OUT/log and screen output (#1355)

  dyzheng

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Commits on Sep 27, 2022

• Merge: Update DFT+U & documentation for DFT+U and Wannier90 interface from abacusmodeling/abacus-develop/develop (#1326)

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Commits on Sep 21, 2022

• Make ABACUS-PW albe to be compiled without LCAO

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  Qianruipku

  committed
  fcdcadd

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Commits on Aug 8, 2022

• Fix: use vector to avoid compiler error on clang

  caic99

  committed
  8c44587

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Commits on Jul 30, 2022

• add error output for wrong parameter bndpar

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  Qianruipku

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  6fe4b5b

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Commits on Jun 22, 2022

• merge develop branch

  Qianruipku

  committed
  a619783

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Commits on Jun 13, 2022

• delete ft.h ft.cpp

  Qianruipku

  committed
  971a8b6

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Commits on Jun 3, 2022

• refactor: merge develop

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  Qianruipku

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  2145d06

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Commits on Jun 2, 2022

• refactor: replace fft of wavefunction with pw_basis

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  Qianruipku

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  3dff87a

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Commits on May 28, 2022

• refactor: change FFT in charge with new PW_Basis

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  Qianruipku

  committed
  999a11d

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Commits on May 23, 2022

• test(parallel) add comments in parallel_reduce_test.cpp

  hongriTianqi

  committed
  50f0187

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• test(parallel): all UT of parallel_reduce.cpp

  hongriTianqi

  committed
  5580f2b

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Commits on May 13, 2022

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

  Qianruipku

  committed
  b235856

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• Update parallel_kpoints.cpp

  Qianruipku

  committed
  705246c

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• Update parallel_kpoints.cpp

  Qianruipku

  authored
  c62ba79

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• Merge SDFT to develop

  Qianruipku

  committed
  b7e76fd

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Commits on May 12, 2022

• Refactor: finish SDFT

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  Qianruipku

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  a8e203a

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• modify default number of processes to 4

  hongriTianqi

  committed
  3ecd932

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• test(parallel): UT of methods in parallel_kpoints

  hongriTianqi

  committed
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Commits on May 11, 2022

• Refactor: add orbital parallel algorithm for sdft

  Qianruipku

  committed
  8094ec8

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

  Qianruipku

  committed
  804de46

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• refactor: add SDFT for ESolver_SDFT_PW

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  Qianruipku

  committed
  cbc8dc0

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Commits on May 10, 2022

• test(mpi): UT of 2 functions in parallel_global.cpp

  hongriTianqi

  committed
  7f61f8e

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• modify typo in parallel_common_test.cpp

  

  root

  authored and

  root

  committed
  010d5bd

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• modify parallel_common_test.cpp

  

  root

  authored and

  root

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  24aef1d

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• test(mpi): UT of functions in parallel_common.cpp

  

  root

  authored and

  root

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  7696920

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Commits on Mar 30, 2022

• update some INPUT parameters again

  YuLiu98

  committed
  e00ae43

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Commits on Mar 28, 2022

• Refactor INPUT parameters

  YuLiu98

  committed
  4dce639

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Commits on Feb 28, 2022

• move parallel_orbitals.h, .cpp files from src_parallel into module_orbital

  maki49

  committed
  8f935c0

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• remove GlobalV in ORB_control

  maki49

  committed
  b785375

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Commits on Feb 27, 2022

• remove cal_nnr by merge it with Record_adf::for_2d

  maki49

  committed
  5dfbb4a

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Commits on Feb 25, 2022

• Merge branch 'TDDFT' of https://github.com/deepmodeling/abacus-develop into wfc2drec

  maki49

  committed
  224f081

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• tear down GlobalC::LNNR

  maki49

  committed
  3e3ccb0

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• reduce wfc_k-memory-cost to NBANDS*NLOCAL

  maki49

  committed
  6eceb0f

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Commits on Feb 24, 2022

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

  maki49

  committed
  3d4fe72

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