Route CP2K requests to task-specific subskills based on user intent. Use when the user asks for CP2K workflows and you must decide between static, relaxation, molecular dynamics, or electronic-analysis preparation. This orchestration skill dispatches to the correct CP2K subskill and enforces consistent handoff to submission skills.
Use this skill as the top-level CP2K orchestration layer.
This skill routes requests to one task-specific CP2K subskill path:
dft-cp2k/staticdft-cp2k/relaxdft-cp2k/mddft-cp2k/electronicThis router skill should:
This router skill should not:
The user must provide enough starting context:
static / relax / mdelectronicIf prerequisites are missing, stop and ask for them.
dft-cp2k/static.dft-cp2k/relax.dft-cp2k/md.dft-cp2k/electronic.dpdisp-submitCP2K is a common DFT backend for generating NEP training labels, especially for large systems where linear-scaling methods are advantageous.
dft-cp2k/static for single-point energy+force+stress.
Recommended: EPS_SCF 1e-7 or tighter.GPUMD/tools/Format_Conversion/cp2k2xyz or dpdata-cli:
uvx dpdata cp2k_output -i cp2k/output -O train.xyz -o extxyz
Provide: