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  NOTE: Please always add static_assert on datatype before using FmtCore::format

  Useful Information Useful information for others to learn/study

  kirk0830 asked Jul 4, 2024 in Note for Developers · Unanswered

  

  

  

  

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  Warning: always use pseudopotential for serious calculation after tests

  kirk0830 started May 30, 2024 in General

  

  

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  The Absolute Zero Plan

  The Absolute Zero Reduce the "entropy" of the code to 0

  mohanchen started May 13, 2024 in General

  

  

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  Note: theoretical framework of COHP may have strong basis set dependence

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

  kirk0830 started Mar 15, 2024 in General

  

  

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  Feature: (embedded) Natural Resonance Theory (NRT) analysis for periodic system might be useful and attractive

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

  kirk0830 started Mar 8, 2024 in Ideas

  

  

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  How to get absolute energy level of electronic states in ABACUS?

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

  hongriTianqi started Dec 10, 2021 in Ideas

  

  

  

  

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  missing:tensorflow_cc when building abacus with deepmd-kit

  cyxpku asked Feb 27, 2024 in Q&A · Closed · Answered

  

  

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  The PW GPU code with K-point parallelism does not work well

  Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT

  denghuilu started Jan 3, 2024 in General

  

  

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  Feature: Different max-force criterion of ABACUS from ASE&VASP

  Input&Output Suitable for coders without knowing too many DFT details

  QuantumMisaka started Oct 26, 2023 in General

  

  

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  Compile ok but run error

  saltball asked May 27, 2023 in Q&A · Closed · Unanswered

  

  

  

  

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  anyone could use the search function in the doc?

  Satinelamp started Apr 21, 2023 in General · Closed

  

  

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  does "ENABLE_NATIVE_OPTIMIZATION" works ?

  Satinelamp asked Sep 22, 2023 in Q&A · Unanswered

  

  

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  googletest url link is wrong

  tonystarkiss started Aug 26, 2021 in Show and tell · Closed

  

  

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  ABACUS Container Solution

  tansongchen started Jun 17, 2021 in Ideas · Closed

  

  

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  Discussion on the Next Steps for Module Development

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

  denghuilu started Oct 16, 2023 in General

  

  

  

  

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  Wrong result and low efficiency of integrated test 108_PW_RE_NEW with SG15 pseudopotential

  Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT

  kirk0830 started Sep 29, 2023 in General

  

  

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  Necessity of refactor of UnitCell class

  kirk0830 started Sep 26, 2023 in Ideas

  

  

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  How to build a conda-package for ABACUS with CUDA GPU implementation?

  Flashbac09 started Mar 8, 2023 in Ideas · Closed

  

  

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  Self-built containers may be needed to reduce memory cost

  kirk0830 started May 31, 2023 in General

  

  

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  Is there any convenient script to generate STUR file from 'cif' or 'xyz' or other formate?

  StealFox97 asked Aug 28, 2023 in Q&A · Closed · Answered

  

  

  

  

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  Convergence Issues in DeePKS-kit Iterations

  LiangWenshuo1118 asked Aug 25, 2023 in Q&A · Unanswered

  

  

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  Convergence Issues in DeePKS-kit Iterations

  LiangWenshuo1118 asked Aug 25, 2023 in Q&A · Closed · Unanswered

  

  

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  NEB calculations

  Computational-Nanoscience-group-USF asked Jan 24, 2023 in Q&A · Answered

  

  

  

  

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  ABACUS Toolchain for dependencies

  QuantumMisaka started Aug 22, 2023 in Ideas · Closed

  

  

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  How about create a interface with PLUMD?

  scott-5 started Jul 27, 2023 in Ideas

  

  

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