What's Changed
- Introducing offset_nscf by @degennar in #202
- Decouple scf and w90 (nscf) kgrid in dfpt workflow by @nscolonna in #209
- changed from_scratch handling in the trajectory wf by @schuyann in #211
- new check_if_bin2xml_routine by @schuyann in #210
- Easier plotting of real space densities by @schuyann in #204
- Updating convergence machinery by @elinscott in #205
- Adding version information to kwf files by @elinscott in #212
- Updating reference to Linscott et al. (2023) by @elinscott in #216
- Fixing bugs in Ang to Bohr conversion when reading cell and atomic positions by @elinscott in #217
- Bug fix in setting the number of electrons in kcp in spin-polarized calculations by @nscolonna in #223
- Ensuring NumPy 2.0 compatibility by @elinscott in #225
- Refactor to run all calculations in separate directories by @elinscott in #220
Full Changelog: v1.0.0...v1.1.0
Contributors
elinscott, degennar, and 2 other contributors