What's Changed
New Features
Enhancements
- raise error for not finding the pos file in dpdata md paser by @robinzyb in #59
- update testset for v9.1 npt_i qs by @robinzyb in #60
- move print to logger by @robinzyb in #61
- use logging in output.py by @robinzyb in #64
- remove the dependency of property num_atoms on the cube file content by @robinzyb in #65
- remove the old cp2kcube class and add type hints by @robinzyb in #66
- replace the shield of coverall with that of codecov by @robinzyb in #67
- modify the coverage status by @robinzyb in #68
- add pytest for the write_cube method in Cp2kCube class by @robinzyb in #70
Bug Fixes
Full Changelog: v0.7.0...v0.7.1