Merge pull request #20309 from dymkowsk/CurrentLoadersEnhancementsDMOL3Loader
Abins: dft loaders enhancements and new dmol3 loader
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- Framework/PythonInterface/plugins/algorithms/Abins.py 39 additions, 10 deletionsFramework/PythonInterface/plugins/algorithms/Abins.py
- Framework/PythonInterface/test/python/plugins/algorithms/AbinsAdvancedParametersTest.py 2 additions, 5 deletions.../python/plugins/algorithms/AbinsAdvancedParametersTest.py
- Framework/PythonInterface/test/python/plugins/algorithms/AbinsBasicTest.py 1 addition, 5 deletions...nterface/test/python/plugins/algorithms/AbinsBasicTest.py
- Testing/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5
- Testing/Data/SystemTest/Mapi.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/Mapi.nxs.md5
- Testing/Data/SystemTest/Na2SiF6_CASTEP.nxs.md5 1 addition, 0 deletionsTesting/Data/SystemTest/Na2SiF6_CASTEP.nxs.md5
- Testing/Data/SystemTest/Na2SiF6_CASTEP.phonon.md5 1 addition, 0 deletionsTesting/Data/SystemTest/Na2SiF6_CASTEP.phonon.md5
- Testing/Data/SystemTest/Na2SiF6_DMOL3.nxs.md5 1 addition, 0 deletionsTesting/Data/SystemTest/Na2SiF6_DMOL3.nxs.md5
- Testing/Data/SystemTest/Na2SiF6_DMOL3.outmol.md5 1 addition, 0 deletionsTesting/Data/SystemTest/Na2SiF6_DMOL3.outmol.md5
- Testing/Data/SystemTest/TolueneLargerOrderAbins.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/TolueneLargerOrderAbins.nxs.md5
- Testing/Data/SystemTest/TolueneScale.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/TolueneScale.nxs.md5
- Testing/Data/SystemTest/TolueneScratchAbins.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/TolueneScratchAbins.nxs.md5
- Testing/Data/SystemTest/TolueneSmallerOrderAbins.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/TolueneSmallerOrderAbins.nxs.md5
- Testing/Data/SystemTest/TolueneTAbins.nxs.md5 1 addition, 1 deletionTesting/Data/SystemTest/TolueneTAbins.nxs.md5
- Testing/Data/UnitTest/LTA_40_O2_LoadDMOL3.outmol.md5 1 addition, 0 deletionsTesting/Data/UnitTest/LTA_40_O2_LoadDMOL3.outmol.md5
- Testing/Data/UnitTest/LTA_40_O2_LoadDMOL3_atomic_displacements_data_0.txt.md5 1 addition, 0 deletions...t/LTA_40_O2_LoadDMOL3_atomic_displacements_data_0.txt.md5
- Testing/Data/UnitTest/LTA_40_O2_LoadDMOL3_data.txt.md5 1 addition, 0 deletionsTesting/Data/UnitTest/LTA_40_O2_LoadDMOL3_data.txt.md5
- Testing/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5 1 addition, 1 deletionTesting/Data/UnitTest/MgO-222-DISP_LoadCRYSTAL_data.txt.md5
- Testing/Data/UnitTest/Na2SiF6_LoadDMOL3.outmol.md5 1 addition, 0 deletionsTesting/Data/UnitTest/Na2SiF6_LoadDMOL3.outmol.md5
- Testing/Data/UnitTest/Na2SiF6_LoadDMOL3_atomic_displacements_data_0.txt.md5 1 addition, 0 deletions...est/Na2SiF6_LoadDMOL3_atomic_displacements_data_0.txt.md5
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