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Dear Professor,
Can this script we used for visualizing anharmonic vibrational mode after AIMD simulation?
Thanks, Saumya Ranjan
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Dear all:
According to https://developer.nvidia.com/blog/accelerated-molecular-simulation-using-deep-potential-workflow-with-ngc/ this page. Here is something wrong.
1. AIMD simulation. from t…
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### Summary
DPGEN cannot perform the exploration step effectively.
### DeePMD-kit Version
2.2.10
### Backend and its version
tensorflow 2.16.1；dpdata 0.2.7；dpg…
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### Name
Josh Vita
### Email
vita1@llnl.gov
### Dataset name
Pb_Te_2023
### Authors
Zhanpeng Gong, Jefferson Zhe Liu, Xiangdong Ding, Jun Sun, Junkai Deng
### Links
* Paper: https://journals.…
jvita updated
3 months ago
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# 내가 또 보기 위한 TCP 혼잡제어
🌩 왜 혼잡제어가 필요할까? 라우터에 패킷이 몰리면 패킷이 유실되고 패킷을 재전송 하면서 네트워크는 더 혼잡해진다. 송신측에서 이러한 문제를 해결하기 위해 전송속도를 줄이는 혼잡 제어를 사용한다. 🌩 AIMD Additive Increase, Mutiplicative Decres
[https://yjksw.gith…
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Hi mjwen@mjwen ,
I am currently attempting to develop a neural network potential for a PtRh alloy. I have trained using a 2000-step AIMD dataset with KLIFF, but the resulting neural network potential…
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When AIMD works in conjunction with windowed limit, it might be way too careful in growing back after bursty spike (and, therefore, a backoff), because it has to proceed `window size` requests, before…
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Hello,
I get a strange result from ProbabilityDensityAnalysis. Li and transition metal layers are not arranged like POSCAR/CONTCAR. Here is the code I use:
`file = ["tem-1000/out_vasprun.xml"]`
`an…
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https://github.com/zincware/IPSuite/blob/9dca6052a6350710a5d7505729e7ce3ec34474f7/ipsuite/base/base.py#L92
`data_id` typically is either first or last configuration. The current way of having a def…
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Dear Sir
I am trying to calculate the diffusivity of Li ions on a Li metal surface from the VASP AIMD output files (XDATCAR, vasprun.xml) by using the pymatgen. I have used the following code:
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