{"skill":{"slug":"cp2k-input-generator","displayName":"cp2k-input-generator","summary":"This skill should be used when generating CP2K input files (.inp) for quantum chemistry calculations. Use when users request CP2K input file creation from st...","tags":{"latest":"1.0.0"},"stats":{"comments":0,"downloads":397,"installsAllTime":0,"installsCurrent":0,"stars":0,"versions":1},"createdAt":1773369456899,"updatedAt":1778491872769},"latestVersion":{"version":"1.0.0","createdAt":1773369456899,"changelog":"cp2k-input-generator v1.0.0 – Initial Release\n\n- Generates accurate CP2K input files (.inp) for quantum chemistry calculations based on user specifications and structure files (cif, pdb, xyz, etc.).\n- Supports multiple calculation types: energy, geometry optimization, molecular dynamics, frequency analysis, NEB, and more.\n- Handles various computational methods: DFT (Quickstep), QMMM, MM, and xTB.\n- Automatically selects suitable parameters (basis set, CUTOFF, k-points, etc.) according to system size and user needs.\n- Includes comprehensive input validation, examples, and troubleshooting tips for common CP2K input issues.","license":"MIT-0"},"metadata":null,"owner":{"handle":"sirutong","userId":"s173830481cvsb1jcxmmt96k2s83mgb5","displayName":"sirutong","image":"https://avatars.githubusercontent.com/u/46773951?v=4"},"moderation":null}