What's Changed
- fix DFT+U and init mag param in dos wrapper tool by @ahxbcn in #83
- Change return value of wrapped Bader tool by @ahxbcn in #84
- Provide example instructions on the agent by @ahxbcn in #85
- Update version of bohr-agent-sdk by @ahxbcn in #86
- Tools for read INPUT, STRU and KPT from abacus job directory by @ahxbcn in #87
- Migrate implementation of vibrational analysis to abacustest by @ahxbcn in #88
- Update abacustest version by @ahxbcn in #89
- Symmetrize force constants to avoid small negative frequency at gamma-point by @ahxbcn in #91
- Tool for build slab by @ahxbcn in #90
- Fix an f orbital name during plotting dos by @ahxbcn in #92
- Update to v0.2.5 by @ahxbcn in #93
Full Changelog: v0.2.4...v0.2.5
Contributors
ahxbcn