atomistics 0.1.13
What's Changed
- extend quantum espresso test range by @jan-janssen in #104
- Bump phonopy from 2.20.0 to 2.21.0 by @dependabot in #105
- Quasiharminic: Add additional parameters for get_thermal_properties() by @jan-janssen in #109
- LAMMPS: Measure temperature during themal expansion by @jan-janssen in #107
- Quasiharminic: Allow the users to choose the fitting method by @jan-janssen in #108
- Merge main by @jan-janssen in #110
- Add option to calculate stress by @jan-janssen in #102
- Add classical harmonic oscillator to quasi-harmonic approximation by @jan-janssen in #111
Full Changelog: atomistics-0.1.12...atomistics-0.1.13