GPUMDkit v1.5.3

What's Changed

• Debug on Jan. 06, 2026 by @xinwuchn in #76
• update plt_pdos by @Wang-Ziyang in #77
• Add CP2K log converter to format conversion tools by @Deal23 in #78
• Update cp2k_log2xyz.py by @Deal23 in #79
• Enhance CP2K-to-extended-XYZ converter with mixed structure support and CP2K 2025+ compatibility by @Deal23 in #81
• Some updates by @zhyan0603 in #80
• Some updates by @zhyan0603 in #83
• Add New Structural Analysis and Visualization Features for ABO3 Workflows by @MoseyQAQ in #84
• Refactor/sample structures argparse pathlib by @LePingKYXK in #85
• Add tutorial for Polar Material Analysis including GPUMDkit calculato… by @MoseyQAQ in #88
• Add structural analysis scripts and refactor argparse integration by @zhyan0603 in #86
• Modify the plot of SHC by @xinwuchn in #89
• Add GPUMD plotting scripts: cohesive, viscosity, RDF+PMF by @kylinguo2016 in #93
• Modified viscosity plotting script plt_viscosity.py by @shengjie-tang in #94
• Some updates by @zhyan0603 in #91

New Contributors

• @Deal23 made their first contribution in #78
• @kylinguo2016 made their first contribution in #93

Full Changelog: v1.5.0...v1.5.3