Home
Blog
Tutorials
Docs
DeePMD-kit
DP-GEN
dpdata
DPDispatcher
Publications
GitHub
Home
Blog
Tutorials
Docs
Publications
GitHub
DeepModeling Tutorial
devel
入门指南
1. 使用DeePMD-Kit
2. Using DP-GEN
案例
1. Practical-Guidelines-for-DP
2. Gas-Phase
2.1. Simulation of the oxidation of methane
资源
1. Learning Resources
2. Writing Tips
Q & A
Q & A
DeepModeling Tutorial
»
2.
Gas-Phase
在 GitHub 上修改
2.
Gas-Phase
Methane
2.1. Simulation of the oxidation of methane
2.1.1. Step 1: Preparing the reference dataset
2.1.2. Step 2. Training the Deep Potential (DP)
2.1.3. Step 3: Freeze the model
2.1.4. Step 4: Running MD simulation based on the DP
2.1.5. Step 5: Analysis of the trajectory
2.1.6. Acknowledge
2.1.7. References
Read the Docs
v: devel
版本列表
latest
devel
下载链接
html
epub
托管于 Read the Docs
项目首页
构建