Merge pull request #26980 from ajjackson/abins-regex
Abins: fix compatibility with CRYSTAL17 molecular calculations
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- Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17.out.md5 1 addition, 0 deletionsTesting/Data/UnitTest/toluene_molecule_LoadCRYSTAL17.out.md5
- Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_atomic_displacements_data_0.txt.md5 1 addition, 0 deletions...olecule_LoadCRYSTAL17_atomic_displacements_data_0.txt.md5
- Testing/Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5 1 addition, 0 deletions...Data/UnitTest/toluene_molecule_LoadCRYSTAL17_data.txt.md5
- docs/source/release/v4.3.0/indirect_geometry.rst 7 additions, 1 deletiondocs/source/release/v4.3.0/indirect_geometry.rst
- scripts/AbinsModules/GeneralAbInitioParser.py 30 additions, 7 deletionsscripts/AbinsModules/GeneralAbInitioParser.py
- scripts/AbinsModules/GeneralLoadAbInitioTester.py 63 additions, 12 deletionsscripts/AbinsModules/GeneralLoadAbInitioTester.py
- scripts/AbinsModules/LoadCRYSTAL.py 1 addition, 1 deletionscripts/AbinsModules/LoadCRYSTAL.py
- scripts/test/AbinsLoadCRYSTALTest.py 10 additions, 2 deletionsscripts/test/AbinsLoadCRYSTALTest.py
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