Psi4-step

Latest version: v2024.12.7

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2024.3.17

* Updated the installer to use the new version of the SEAMM installer.
* Finalizes installing either with Conda or Docker

2024.3.4

* Added short names for the methods (Hamiltonians) and DFT functionals.
* Catch errors in Psi4 calculating properties for e.g. CISD(T) method

2024.2.29

* Fixed issues with running amd64 containers on arm64 systems.

2024.1.11 -- Changes to allow running in containers.
* Moved to the new executor and ensured it still runs directly.
* Fixed bugs in printing the summary output.

2023.8.23

* Psi4 is now available on CondaForge, so install from there if requested.
* Psi4 crashes if asked to optimize and atom, so change to doing a single point
energy is optimization is requested for and atom.

2023.8.22

* Added structure to the orbital plots
* Fixed a bug if the default number of cores was not 'available'

2023.6.4

* Added thermochemistry substep to compute the vibrational and other corrections for
thermochemistry.
* Added ability to create .cube files for plotting the density and orbitals.

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