Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / pfnet-research/torch-dftd issues and pull requests
#30 - Bump version to 0.5.0
Pull Request -
State: closed - Opened by ShigeruIwase-PFN 13 days ago
#30 - Bump version to 0.5.0
Pull Request -
State: closed - Opened by ShigeruIwase-PFN 13 days ago
#29 - Add rscan and r2scan parameters to DFTD3 XC parameters
Pull Request -
State: closed - Opened by ShigeruIwase-PFN 19 days ago
#29 - Add rscan and r2scan parameters to DFTD3 XC parameters
Pull Request -
State: closed - Opened by ShigeruIwase-PFN 19 days ago
#28 - Skin style neighborlist
Issue -
State: open - Opened by CheukHinHoJerry 3 months ago
#28 - Skin style neighborlist
Issue -
State: open - Opened by CheukHinHoJerry 3 months ago
#27 - Create py.typed
Pull Request -
State: open - Opened by Andrew-S-Rosen 3 months ago
#27 - Create py.typed
Pull Request -
State: open - Opened by Andrew-S-Rosen 3 months ago
#26 - [Feature Request]: Add option for new DFT-D4 parameters
Issue -
State: open - Opened by ajhoffman1229 3 months ago
- 1 comment
#26 - [Feature Request]: Add option for new DFT-D4 parameters
Issue -
State: open - Opened by ajhoffman1229 3 months ago
- 1 comment
#25 - Add Matscipy Neighborlist Support
Issue -
State: open - Opened by tgmaxson 4 months ago
- 1 comment
#25 - Add Matscipy Neighborlist Support
Issue -
State: open - Opened by tgmaxson 4 months ago
- 1 comment
#24 - Running tests correctly
Issue -
State: closed - Opened by CheukHinHoJerry 5 months ago
- 5 comments
#24 - Running tests correctly
Issue -
State: closed - Opened by CheukHinHoJerry 5 months ago
- 5 comments
#23 - Add `b97-3c`
Pull Request -
State: closed - Opened by PythonFZ 11 months ago
#23 - Add `b97-3c`
Pull Request -
State: closed - Opened by PythonFZ 11 months ago
#22 - use `get_cell().array`
Pull Request -
State: open - Opened by PythonFZ about 1 year ago
- 4 comments
#22 - use `get_cell().array`
Pull Request -
State: open - Opened by PythonFZ about 1 year ago
- 4 comments
#21 - V0.4.0
Pull Request -
State: closed - Opened by takagi about 1 year ago
#21 - V0.4.0
Pull Request -
State: closed - Opened by takagi about 1 year ago
#20 - Reduce Gather op when ONNX-exported
Pull Request -
State: closed - Opened by takagi about 1 year ago
#20 - Reduce Gather op when ONNX-exported
Pull Request -
State: closed - Opened by takagi about 1 year ago
#19 - Update CI
Pull Request -
State: closed - Opened by takagi about 1 year ago
- 6 comments
#19 - Update CI
Pull Request -
State: closed - Opened by takagi about 1 year ago
- 6 comments
#18 - Fix tracing batch size
Pull Request -
State: closed - Opened by takagi about 1 year ago
#18 - Fix tracing batch size
Pull Request -
State: closed - Opened by takagi about 1 year ago
#17 - Split c6 computation to reduce peak memory usage
Pull Request -
State: closed - Opened by takagi about 1 year ago
#17 - Split c6 computation to reduce peak memory usage
Pull Request -
State: closed - Opened by takagi about 1 year ago
#16 - reading from ASE file slow error
Issue -
State: open - Opened by Asif-Iqbal-Bhatti over 1 year ago
- 9 comments
#16 - reading from ASE file slow error
Issue -
State: open - Opened by Asif-Iqbal-Bhatti over 1 year ago
- 9 comments
#15 - Support torch.jit.script
Pull Request -
State: open - Opened by corochann about 3 years ago
#15 - Support torch.jit.script
Pull Request -
State: open - Opened by corochann about 3 years ago
#14 - v0.3.0
Pull Request -
State: closed - Opened by corochann about 3 years ago
#14 - v0.3.0
Pull Request -
State: closed - Opened by corochann about 3 years ago
#13 - use shift for gradient calculation instead of cell
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
Labels: bug, enhancement
#13 - use shift for gradient calculation instead of cell
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
Labels: bug, enhancement
#12 - [WIP] Cell-related gradient modifications
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
- 1 comment
Labels: bug, enhancement
#12 - [WIP] Cell-related gradient modifications
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
- 1 comment
Labels: bug, enhancement
#11 - v0.2.0
Pull Request -
State: closed - Opened by corochann about 3 years ago
- 2 comments
#11 - v0.2.0
Pull Request -
State: closed - Opened by corochann about 3 years ago
- 2 comments
#10 - move pysen to develop dependency
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
- 1 comment
#10 - move pysen to develop dependency
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
- 1 comment
#9 - Bugfix: batch calculation with abc=True
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
Labels: bug
#9 - Bugfix: batch calculation with abc=True
Pull Request -
State: closed - Opened by So-Takamoto about 3 years ago
Labels: bug
#8 - Remove RuntimeError on no-cupy environment
Pull Request -
State: closed - Opened by So-Takamoto over 3 years ago
Labels: bug
#7 - Bug in test for stress
Issue -
State: open - Opened by AkihideHayashi over 3 years ago
#6 - Fixed a bug for inputs with 0 adjacencies.
Pull Request -
State: closed - Opened by AkihideHayashi over 3 years ago
Labels: bug
#5 - Raise Error with single atom inputs.
Issue -
State: closed - Opened by AkihideHayashi over 3 years ago
- 1 comment
#4 - Improve test robustness
Issue -
State: open - Opened by corochann over 3 years ago
#3 - Use pymatgen for pbc neighbor search speed up
Pull Request -
State: closed - Opened by corochann over 3 years ago
- 5 comments
#2 - Add PFP citation in README.md
Pull Request -
State: closed - Opened by corochann over 3 years ago
#1 - update version v0.1.0
Pull Request -
State: closed - Opened by corochann over 3 years ago
- 11 comments