Aiida-nanotech-empa

What's Changed
* resources updated for alps by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/177
* fixed bugs in possibility to ressart reftraj and updated example by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/176
* Fix pre-commit issues. by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/178


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b8...v1.0.0b9

What's Changed
* Compute properties (energy/forces) on series of geometries by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/157
* Nics by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/166
* Add cubehandler calculation to the orbitals workchain by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/163
* use DZVP basis set for Fe by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/165
* setting ELPA to AUTO in protocols by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/172
* fixed units in FIXED_POINT in colvars by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/171
* modifications needed for alps added input walltime by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/173
* Fix pre-commit issues by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/174
* Update cp2k dependency by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/175


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b7...v1.0.0b8

What's Changed
* Update README.md by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/158
* set default symmetry to NONE in the geo_opt protocol by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/160
* Bump `aiida-cp2k` dependency by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/161


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b6...v1.0.0b7

What's Changed
* Remove temporary fix for the `withmpi` problem by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/155
* Drop support for Python 3.8, enable Python 3.11 by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/156


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b5...v1.0.0b6

What's Changed
* Fix/Tb by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/144
* Update aiida-qe plugin to `~=4.4` by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/142
* Fix/elpa daint gpu by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/149
* Use absolute value for convergence wrt CV increment by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/150
* fixed minimum number of nodes by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/148
* Improve the compatibility check of available WFN for the UKS case by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/151
* Temporary set the `withmpi` option to True for the stm and overlap calculations by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/152


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b4...v1.0.0b5

What's Changed
* Unify magnetisation input by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/136
* Fix a bug in cv dist: with POINTS also ATOMS is needed by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/137
* Remove filename for restart wfn in the `low_accuracy` and `debug` protocols by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/135
* `PDOS` work chain: handle the case when multiplicities are not provided by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/140


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v1.0.0b3...v1.0.0b4