Skip to content

Issues: hghcomphys/pantea

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

20 Open 40 Closed
20 Open 40 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

The total energy of MD simulator is not conserve in NVE ensemble bug Something isn't working
#64 opened Jul 11, 2023 by hghcomphys
Set number of hidden layers separately for each element enhancement New feature or request
#54 opened Feb 13, 2023 by hghcomphys
Prefetching dataset is required to get the better computational performance on GPU invalid This doesn't seem right
#51 opened Feb 5, 2023 by hghcomphys
Unexpected data transfer via PCI when training model on GPU enhancement New feature or request invalid This doesn't seem right
#50 opened Feb 5, 2023 by hghcomphys
1
Dump potential files into the RuNNer/N2P2 format enhancement New feature or request
#49 opened Feb 3, 2023 by hghcomphys
Add benchmarks documentation Improvements or additions to documentation
#47 opened Jan 31, 2023 by hghcomphys
Using scipy cKDtree for finding neighbor atoms inside a cutoff radius enhancement New feature or request
#42 opened Jan 3, 2023 by hghcomphys
ACSF scaler seems to give out range values for some scaler types invalid This doesn't seem right
#40 opened Dec 29, 2022 by hghcomphys
add tensorboard writer to the trainer enhancement New feature or request
#38 opened Dec 13, 2022 by hghcomphys
remove jax.jit decorator from small functions/methods enhancement New feature or request
#32 opened Nov 19, 2022 by hghcomphys
Separate structure tensors based on element type enhancement New feature or request
#28 opened Nov 8, 2022 by hghcomphys
Separate differentiation between descriptor and model enhancement New feature or request
#21 opened Oct 12, 2022 by hghcomphys
Read LAMMPS outputs directory into Structure enhancement New feature or request
#14 opened Sep 21, 2022 by hghcomphys
Create a Singularity container image enhancement New feature or request
#10 opened Sep 19, 2022 by hghcomphys
Add download option for examples enhancement New feature or request
#8 opened Sep 19, 2022 by hghcomphys
1
Save training history into file enhancement New feature or request
#7 opened Sep 19, 2022 by hghcomphys
Update ratio for forces and energy in training loop bug Something isn't working enhancement New feature or request
#6 opened Sep 19, 2022 by hghcomphys
Separate force and energy batches in training loop bug Something isn't working enhancement New feature or request
#3 opened Sep 19, 2022 by hghcomphys
Tools to generate RuNNer input.data from LAMMPS outputs enhancement New feature or request
#2 opened Sep 19, 2022 by hghcomphys
Parallel structure loader enhancement New feature or request
#1 opened Sep 19, 2022 by hghcomphys
1
ProTip! Mix and match filters to narrow down what you’re looking for.