Brain HPC Cp2k Kernel Execute
brain_hpc_cp2k_kernel_execute
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Execute command in CP2K shell session
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
input_data |
string | yes | Input data for calculation |
Examples
Example CP2K hpc cp2k kernel execute
Running DFT or AIMD calculations in an active CP2K shell
Prompt: “Execute a command in the CP2K session”
brain_hpc_cp2k_kernel_execute(input_data=...)Usage notes
- CP2K HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
CP2KExampleexecutekernel