aiida_lsmo package

Subpackages

• aiida_lsmo.calcfunctions package
  • Submodules
  • aiida_lsmo.calcfunctions.ff_builder_module module
  • aiida_lsmo.calcfunctions.ff_data_schema module
  • aiida_lsmo.calcfunctions.oxidation_state module
  • aiida_lsmo.calcfunctions.selectivity module
  • aiida_lsmo.calcfunctions.working_cap module
  • aiida_lsmo.calcfunctions.wrappers module
  • Module contents
• aiida_lsmo.parsers package
  • Submodules
  • aiida_lsmo.parsers.parser_functions module
  • Module contents
• aiida_lsmo.utils package
  • Submodules
  • aiida_lsmo.utils.cp2k_utils module
  • aiida_lsmo.utils.isotherm_molecules_schema module
  • aiida_lsmo.utils.multiply_unitcell module
  • aiida_lsmo.utils.other_utilities module
  • Module contents
• aiida_lsmo.workchains package
  • Subpackages
    • aiida_lsmo.workchains.cp2k_multistage_protocols package
      • Module contents
  • 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 workflows for the LSMO laboratory at EPFL