Merge requests · 潘书宁 / PyNEP

Merge trains

Upgrade numpy

!28 · created Dec 04, 2024 by 潘书宁
- Merged
- 1
updated Dec 04, 2024
Add B_projection for extrapolation grade calculation

!27 · created Dec 04, 2024 by 潘书宁
- Merged
- 1
updated Dec 04, 2024
Not show c++ infomation

!26 · created Jun 01, 2024 by 潘书宁
- Merged
- 1
updated Jun 01, 2024
优化

!24 · created Jan 28, 2024 by 潘书宁
- Merged
- 1
updated Feb 01, 2024
Update setup.py

!22 · created Dec 27, 2023 by 潘书宁
- Merged
- 1
updated Dec 27, 2023
update pynep

!21 · created Dec 18, 2023 by 潘书宁
- Merged
- 1
updated Dec 22, 2023
update nep_cpu

!20 · created Jul 19, 2023 by 潘书宁
- Merged
- 1
updated Aug 18, 2023
Update io.py

!18 · created Jun 20, 2023 by 潘书宁
- Merged
- 2
updated Jun 25, 2023
add energies

!13 · created Dec 10, 2022 by 潘书宁
- Merged
- 1
updated Dec 11, 2022
Update io.py

!9 · created Oct 19, 2022 by 潘书宁
- Merged
- 1
updated Oct 20, 2022
Update io.py

!8 · created Oct 07, 2022 by 潘书宁
- Merged
- 1
updated Oct 07, 2022
Update io.py

!7 · created Sep 29, 2022 by 潘书宁
- Merged
- 1
updated Sep 29, 2022
Update io.py

!6 · created Sep 28, 2022 by 潘书宁
- Merged
- 1
updated Sep 29, 2022
Update io.py

!5 · created Sep 27, 2022 by 潘书宁
- Closed
updated Sep 27, 2022
Update README.md

!4 · created Sep 27, 2022 by 潘书宁
- Closed
updated Sep 27, 2022
Mainly for the number of virial components in format exyz.

!3 · created Sep 27, 2022 by 潘书宁
- Merged
- 2
updated Sep 27, 2022
Adapt to the extend xyz file

!2 · created Sep 24, 2022 by 潘书宁
- Merged
- 1
updated Sep 25, 2022