aiida-lsmo
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LSMO calc functions and work chains
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Subpackages
aiida_lsmo.calcfunctions package
aiida_lsmo.parsers package
aiida_lsmo.utils package
aiida_lsmo.workchains package
Subpackages
Submodules
aiida_lsmo.workchains.binding_site module
aiida_lsmo.workchains.cp2k_binding_energy module
aiida_lsmo.workchains.cp2k_multistage module
aiida_lsmo.workchains.cp2k_multistage_ddec module
aiida_lsmo.workchains.cp2k_phonopy module
aiida_lsmo.workchains.isotherm module
aiida_lsmo.workchains.isotherm_accurate module
aiida_lsmo.workchains.isotherm_calc_pe module
aiida_lsmo.workchains.isotherm_inflection module
aiida_lsmo.workchains.isotherm_multi_temp module
aiida_lsmo.workchains.multicomp_ads_des module
aiida_lsmo.workchains.multicomp_gcmc module
aiida_lsmo.workchains.nanoporous_screening_1 module
aiida_lsmo.workchains.parameters_schemas module
aiida_lsmo.workchains.sim_annealing module
aiida_lsmo.workchains.singlecomp_widom module
aiida_lsmo.workchains.zeopp_multistage_ddec module
Module contents
Module contents
aiida-lsmo
aiida_lsmo package
aiida_lsmo.workchains package
aiida_lsmo.workchains.cp2k_multistage_protocols package
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aiida_lsmo.workchains.cp2k_multistage_protocols package
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Module contents
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Protocols for multi-stage CP2K calculations
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