Nano-qmflows

Latest version: v0.14.2

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0.14.2

Fixed
* Fix various input parsing bugs related to the distributed jobs

0.14.1

New
* Add formal Python 3.12 support

Changed
* Update C++ dependencies in the prebuilt wheels
* Migrate from setup.cfg to pyproject.toml

Fixed
* Fix `cell_angles` being unable to accept `None`
* Remove references to a removed function in the IDOS workflow

0.14.0

New
* Add MacOS arm64 wheels.

Changed
* Move the C++ python bindings to a dedicated file.
* Drop support for Python 3.7.
* Use dataclasses internally for storing nano-qmflows settings.
* Add formal Python 3.11 support

0.13.4

Fixed
* Fix the minimum macosx version of vendored libraries.

0.13.3

New
* Replace `pybind11` as a build dependency with `numpy`.
* Generate ABI3 wheels.

Changed
* Remove `cython` leftovers.
* Add minimum versions to most dependencies.
* Always compile with C++11 as we don't use any newer features.
* Bump the minimum qmflows version to >= 1.12.1.
* Increase the SCF convergence in the (non-guess) templates from 5e-04 to 1e-06.

Fixed
* Fix the ill-defined active space for unrestricted calculations.

0.13.2

New
* Add MacOS x86_64 and Linux aarch64 wheels.

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