Discussions

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  cuSolver may prominently enhance the efficiency of LCAO module

  Feature Discussed The features will be discussed first but will not be implemented soon

  haxushu started Feb 9, 2022 in Show and tell

  

  

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  Hessian matrix and phonon frequencies

  Feature Discussed The features will be discussed first but will not be implemented soon

  YuLiu98 started Feb 7, 2022 in Ideas

  

  

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  elastic constant calculation in ABACUS

  hongriTianqi started Dec 10, 2021 in Ideas

  

  

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  We need elaborate profiling for ABACUS version 2.2.0, please collect as many case as you can!

  dyzheng started Dec 4, 2021 in Show and tell

  

  

  

  

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  Suggest ABACUS could output the version

  Feature Discussed The features will be discussed first but will not be implemented soon

  pxlxingliang started Dec 28, 2021 in Ideas · Closed

  

  

  

  

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  How to obtain atomic information such as radius, number, and the number of valence electrons and protons?

  sunml99 asked Dec 12, 2021 in Q&A · Answered

  

  

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  The autotests is not rich enough, we still can find out some error case not in them.

  Feature Discussed The features will be discussed first but will not be implemented soon

  dyzheng started Nov 30, 2021 in Ideas

  

  

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  20210926-Develop

  dyzheng started Sep 26, 2021 in General · Closed

  

  

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  removal of obsolete code

  wenfei-li started Jul 14, 2021 in General · Closed

  

  

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  ABACUS CI building

  darelbeida started Jun 1, 2021 in General · Closed

  

  

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