aiida-crystal17
v0.4.1
User guide
API
Subpackages
aiida_crystal17.calculations package
aiida_crystal17.data package
aiida_crystal17.parsers package
aiida_crystal17.workflows package
aiida_crystal17.validation package
aiida_crystal17.cmndline package
Submodules
aiida_crystal17.utils module
aiida_crystal17.aiida_compatability module
Module contents
aiida-crystal17
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API
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API
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Subpackages
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aiida_crystal17.calculations package
Submodules
aiida_crystal17.calculations.cry_basic module
aiida_crystal17.calculations.cry_main module
aiida_crystal17.calculations.cry_main_immigrant module
Module contents
aiida_crystal17.data package
Submodules
aiida_crystal17.data.basis_set module
aiida_crystal17.data.struct_settings module
Module contents
aiida_crystal17.parsers package
Submodules
aiida_crystal17.parsers.cry_basic module
aiida_crystal17.parsers.geometry module
aiida_crystal17.parsers.inputd12_read module
aiida_crystal17.parsers.inputd12_write module
aiida_crystal17.parsers.mainout_parse module
aiida_crystal17.parsers.migrate module
Module contents
aiida_crystal17.workflows package
Submodules
aiida_crystal17.workflows.symmetrise_3d_struct module
aiida_crystal17.workflows.cry_main_immigrant module
Module contents
aiida_crystal17.validation package
Module contents
aiida_crystal17.cmndline package
Submodules
aiida_crystal17.cmndline.basis_set module
aiida_crystal17.cmndline.options module
aiida_crystal17.cmndline.structsettings module
Module contents
Submodules
¶
aiida_crystal17.utils module
aiida_crystal17.aiida_compatability module
Module contents
¶
aiida_crystal17
AiiDA plugin for running the CRYSTAL17 code
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