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GPUMDkit v1.5.4
What's Changed
- Some updates by @xinwuchn in #95
- Some updates by @zhyan0603 in #96
- Fix conversion factor for stress tensor from bar to GPa by @Deal23 in #97
- Fix typo and update stress tensor conversion factor to GPa by @zhyan0603 in #98
- Update CP2K SCF prompt, NEB calculations, and -plt D/sigma by @zhyan0603 in #102
- Bug fix by @xinwuchn in #104
- Update scripts for plot born effective charges by @MoseyQAQ in #105
- Fix bugs and update plotting scripts for density and charges by @zhyan0603 in #106
Full Changelog: v1.5.3...v1.5.4