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Commits on Sep 23, 2022

• feature: output H/S matrix into a sub dir in md calculation (#1258)

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  YuLiu98

  authored
  b27155b

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Commits on Sep 19, 2022

• delete redundant code of comp_chg.

  ddhhss

  committed
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Commits on Sep 16, 2022

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

  YuLiu98

  committed
  bf4272e

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• Refactor: Remove the global variable `global_pseudo_type`. (#1247)

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  sunliang98

  authored
  973b7f5

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• Merge pull request #1233 from pxlxingliang/InputParam

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  pxlxingliang

  authored
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Commits on Sep 15, 2022

• refactor : absorb 'INPUTs ' into INPUT when generating

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  wenfei-li

  committed
  005c4a6

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Commits on Sep 14, 2022

• delete the useless INPUT parameters restart_mode and test_just_neighbor

  pxlxingliang

  committed
  833a4b9

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• feature: implement gate field

  YuLiu98

  committed
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Commits on Sep 13, 2022

• delete some unused INPUT parameters

  pxlxingliang

  committed
  ce4259e

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• feature : add xc_temperature input keyword

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  wenfei-li

  committed
  78db472

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Commits on Aug 20, 2022

• Test: add test case for nz=3, add parameter test_skip_ewald for this case only

  dyzheng

  committed
  f08c638

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• Merge pull request #1172 from caic99/math_info

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  dyzheng

  authored
  87bbbb5

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Commits on Aug 8, 2022

• Feature: output math lib info into a file

  caic99

  committed
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Commits on Aug 3, 2022

• modify min_dist_fact to min_dist_coef

  pxlxingliang

  committed
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Commits on Aug 2, 2022

• add the check of structure

  pxlxingliang

  committed
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Commits on Jun 23, 2022

• fix bug of compensating charge.

  ddhhss

  committed
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Commits on Jun 13, 2022

• feature: add key word "kspacing" and related doc and example (#1011)

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  pxlxingliang

  authored
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Commits on May 25, 2022

• refactor : update input para of dipole and efield

  YuLiu98

  committed
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Commits on May 24, 2022

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

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  YuLiu98

  committed
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Commits on May 11, 2022

• refactor: add SDFT for ESolver_SDFT_PW

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  Qianruipku

  committed
  cbc8dc0

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Commits on Apr 28, 2022

• <fix>

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  Qianruipku

  committed
  e794931

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Commits on Apr 19, 2022

• Feature: Add module surchem. (#846)

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  ddhhss

  and

  sunml99

  authored
  257e50a

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Commits on Mar 31, 2022

• update input-main.md and change diago_david_ndim to pw_diag_ndim

  YuLiu98

  committed
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• update name of some INPUT parameters

  YuLiu98

  committed
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Commits on Mar 30, 2022

• add new parameter md_nstep for md

  YuLiu98

  committed
  ce08b5a

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• update some INPUT parameters again

  YuLiu98

  committed
  e00ae43

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Commits on Mar 28, 2022

• Refactor INPUT parameters

  YuLiu98

  committed
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Commits on Mar 16, 2022

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

  

  wenfei-li

  committed
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Commits on Mar 3, 2022

• xc refactor :

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  wenfei-li

  committed
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Commits on Feb 18, 2022

• xc refactor :

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  wenfei-li

  committed
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Commits on Jan 12, 2022

• deepks :

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  wenfei-li

  committed
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Commits on Jan 9, 2022

• enabling orbital (bandgap) labael for deepks

  ouqi0711

  committed
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Commits on Nov 26, 2021

• < feature > added a new parameter: out_element_info

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  dyzheng

  committed
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Commits on Oct 16, 2021

• change 'deepks_scf' and 'out_descriptor' from 'INPUT.' into 'GlobalV::'

  maki49

  committed
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Commits on Oct 11, 2021

• set old non-local potential method as the default, use variable vnl_method for controling

  dyzheng

  committed
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