Issues

• MD Step time in flare-otf is extremely long

  mir-group/flare#449 · Filter by author FromColleWithLove opened on Sep 16, 2025
  2

• Custom descriptor tutorial colab missing

  mir-group/flare#440 · Filter by author ltimmerman3 opened on Jul 25, 2025
  1

• Discrepancy in PotEng Between lmp-otf MD and Single-Point OTF/DFT for Water Molecules

  mir-group/flare#432 · Filter by author ShuaishuaiYuan opened on Nov 29, 2024
  1

• Structure(cell, coded_species, pos, cutoff, descriptors) MemoryError: std::bad_alloc

  mir-group/flare#429 · Filter by author siinghim opened on Nov 18, 2024
  1

• Hyperparameter optimization giving abnormally high energy noise

  mir-group/flare#403 · Filter by author MorAnyAn opened on Jul 5, 2024
  2

• Supercell selection in offline training for 2 different systems

  mir-group/flare#399 · Filter by author taidbui opened on Apr 25, 2024

• Can't access tutorial notebooks on Colab

  mir-group/flare#396 · Filter by author taidbui opened on Mar 13, 2024
  7

• Google Colab FLARE+LAMMPS crashing

  mir-group/flare#389 · Filter by author francescomambretti opened on Jan 4, 2024
  3

• Bug: Python API cannot save trained model (Segmentation fault, list index out of range)

  mir-group/flare#386 · Filter by author m-a-saleh opened on Dec 6, 2023
  8

• seg fault when predicting local uncertainty with trained sgp calculator

  mir-group/flare#379 · Filter by author aaronchen0316 opened on Sep 28, 2023
  5

• Is the specific coarse-grain version available？

  mir-group/flare#378 · Filter by author shuhaom opened on Sep 26, 2023
  1

• Output file inquire

  mir-group/flare#377 · Filter by author Lan-Tech-ISU opened on Sep 23, 2023
  3

• OTF SGP models with force_only=True, not working with OTF.from_checkpint()

  mir-group/flare#376 · Filter by author usaleem97 opened on Sep 22, 2023
  3

• Coogle colab tutorial is missing

  mir-group/flare#371 · Filter by author m-a-saleh opened on Aug 21, 2023
  2

• raise RuntimeError("Failed to retrieve any thermo_style-output")

  mir-group/flare#360 · Filter by author YukeLi-chem opened on Jul 2, 2023
  3

• Restart an offline training, frame index error

  mir-group/flare#349 · Filter by author JingxuanDing opened on Apr 5, 2023
  1

• Custom calculator with YAML

  enhancement
  mir-group/flare#329 · Filter by author ThePauliPrinciple opened on Oct 31, 2022
  1

• Flaky test on test_stress_kernels.py

  test
  mir-group/flare#295 · Filter by author jzysak25 opened on Oct 21, 2021