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Update to 7.8 #50

Merged
merged 12 commits into from
Sep 12, 2024
Merged

Update to 7.8 #50

merged 12 commits into from
Sep 12, 2024

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davidwaroquiers
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Update turbomoleio to deal with Turbomole version 7.8.
Integration and unit tests have been checked.
Reference files have been generated and added for this new 7.8 version.

Changed version.
Added parsing of solvent and source in cosmo parsing.
Added more information for checking changes in
dev_script/generate_output_files.py.
Added possibility to set solvent and refind in define parameters
and in add_cosmo method of Control.
Updated reference files.
Added tests for cosmo solvents.
Fixed intersphinx_mapping for new versions of sphinx.
@davidwaroquiers davidwaroquiers changed the title WIP: Update to 7.8 Update to 7.8 Sep 10, 2024
@davidwaroquiers davidwaroquiers merged commit 40e59a5 into develop Sep 12, 2024
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3 participants