Skip to content

Issues: mir-group/flare

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

29 Open 182 Closed
29 Open 182 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Discrepancy in PotEng Between lmp-otf MD and Single-Point OTF/DFT for Water Molecules
#432 opened Nov 29, 2024 by ShuaishuaiYuan
offline training of the Pt/H
#431 opened Nov 26, 2024 by hewuanhewuan
Structure(cell, coded_species, pos, cutoff, descriptors) MemoryError: std::bad_alloc
#429 opened Nov 18, 2024 by siinghim
Use descriptor-space mapping in ASE
#428 opened Nov 9, 2024 by FromColleWithLove
1
Compilation error when building LAMMPS pair_flare_kokkos
#427 opened Nov 5, 2024 by namehta4
2
What happens when using three kernels and corresponding three descriptors, but only adding a two-dimensional sparse environment?
#425 opened Nov 1, 2024 by rbjiawen
1
Executing flare-otf lammps.yaml on the command line results in an error
#424 opened Oct 28, 2024 by 915936476
1
AssertionError thermostat.shape
#405 opened Jul 12, 2024 by rsdmse
1
Hyperparameter optimization giving abnormally high energy noise
#403 opened Jul 5, 2024 by MorAnyAn
Supercell selection in offline training for 2 different systems
#399 opened Apr 25, 2024 by taidbui
Wrong parsing of the results which sticks numbers together.
#398 opened Apr 18, 2024 by gjoalland13
Can't access tutorial notebooks on Colab
#396 opened Mar 13, 2024 by taidbui
7
Google Colab FLARE+LAMMPS crashing
#389 opened Jan 4, 2024 by francescomambretti
3
Can't clone flare on windows because of tests/test_files/output_files/. Possibly OUTCAR naming not allowed on windows
#388 opened Jan 1, 2024 by NicholasDow
1
Bug: Python API cannot save trained model (Segmentation fault, list index out of range)
#386 opened Dec 6, 2023 by m-a-saleh
8
Execluding some species from training
#385 opened Dec 4, 2023 by m-a-saleh
1
seg fault when predicting local uncertainty with trained sgp calculator
#379 opened Sep 28, 2023 by aaronchen0316
4
Is the specific coarse-grain version available？
#378 opened Sep 26, 2023 by shuhaom
1
Output file inquire
#377 opened Sep 23, 2023 by Lan-Tech-ISU
3
OTF SGP models with force_only=True, not working with OTF.from_checkpint()
#376 opened Sep 22, 2023 by usaleem97
2
Trajectory extraction
#375 opened Sep 19, 2023 by KrishnanjanP
7
Time of Update GP (s) increases a lot as more DFT calls
#372 opened Sep 3, 2023 by YukeLi-chem
1
Coogle colab tutorial is missing
#371 opened Aug 21, 2023 by m-a-saleh
2
raise RuntimeError("Failed to retrieve any thermo_style-output")
#360 opened Jul 2, 2023 by YukeLi-chem
3
Problem running otf_train.yaml (error message sparse_gp.py)
#359 opened Jun 30, 2023 by johnemec
4
ProTip! Adding no:label will show everything without a label.