Discussions

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  How to restart a LMPOTF run?

  bastonero asked Aug 18, 2024 in Q&A · Answered

  

  

  

  

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  Using FLARE for the system containing three species?

  hewuanhewuan asked Jul 5, 2024 in Q&A · Unanswered

  

  

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  3 species force field

  hewuanhewuan asked Aug 3, 2024 in Q&A · Unanswered

  

  

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  Can I use simple DFT (with atoms fixed) to train a model?

  TheoBardu asked Jul 2, 2024 in Q&A · Unanswered

  

  

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  Using Mamba instead of Conda for FLARE?

  turbosonics asked Jan 24, 2024 in Q&A · Closed · Unanswered

  

  

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  How to combine the training labels from different jobs to have one SGP model?

  TSMtang asked Jan 17, 2024 in Q&A · Unanswered

  

  

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  Energy hyperparameter has an offset?

  bastonero asked Nov 13, 2023 in Q&A · Closed · Unanswered

  

  

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  Compilator can't find Eigen/Dense

  FromColleWithLove asked Oct 16, 2023 in Q&A · Closed · Unanswered

  

  

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  Consider forces direction difference between VASP & LAMMPS results?

  TSMtang asked Sep 28, 2023 in Q&A · Answered

  

  

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  otf run hangs at the very first step

  KrishnanjanP asked Sep 6, 2023 in Q&A · Closed · Unanswered

  

  

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  parallel GP with example <test_GP_LJ_fresh.yaml>

  TSMtang asked Jan 31, 2023 in Q&A · Unanswered

  

  

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  Error of lammps + GPU using flare potential

  shihao-code asked Jan 8, 2023 in Q&A · Answered

  

  

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  ASE calculator OFT without MD

  KrumaKruma asked Sep 13, 2022 in Q&A · Unanswered

  

  

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  parallel SGP training

  TSMtang asked Dec 20, 2022 in Q&A · Answered

  

  

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  💬

  Pre-release 1.2.0 - Kokkos acceleration & Lammps syntax change

  YuuuXie started Aug 10, 2022 in General

  

  

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  Pre-release 1.1.2

  YuuuXie started Aug 10, 2022 in General

  

  

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