aiida-lsmo
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  • LSMO calc functions and work chains
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aiida-lsmo
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  • Overview: module code

All modules for which code is available

  • _weakrefset
  • aiida.engine.processes.workchains.workchain
  • aiida_lsmo.calcfunctions.ff_builder_module
  • aiida_lsmo.calcfunctions.selectivity
  • aiida_lsmo.calcfunctions.working_cap
  • aiida_lsmo.calcfunctions.wrappers
  • aiida_lsmo.parsers
    • aiida_lsmo.parsers.parser_functions
  • aiida_lsmo.utils.cp2k_utils
  • aiida_lsmo.utils.multiply_unitcell
  • aiida_lsmo.utils.other_utilities
  • aiida_lsmo.workchains.binding_site
  • aiida_lsmo.workchains.cp2k_binding_energy
  • aiida_lsmo.workchains.cp2k_multistage
  • aiida_lsmo.workchains.cp2k_multistage_ddec
  • aiida_lsmo.workchains.isotherm
  • aiida_lsmo.workchains.isotherm_calc_pe
  • aiida_lsmo.workchains.isotherm_multi_temp
  • aiida_lsmo.workchains.nanoporous_screening_1
  • aiida_lsmo.workchains.sim_annealing
  • aiida_lsmo.workchains.zeopp_multistage_ddec

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