asap.meta_dictionary.json 1.07 KB
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{
  "metadict_name":"asap",
  "metadict_description":"metainfo for the asap_parser",
  "metadict_version":"0.1",
  "metadict_require":[{
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    "metadict_required_name":"common"
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  }],
  "meta_info_entry":[{
    "meta_name":"x_asap_langevin_friction",
    "meta_type":"type-value",
    "meta_description":"Friction coeffient used in Langevin dynamics",
    "meta_parent_section":"section_sampling_method",
    "meta_data_type":"float"
  },{
    "meta_name":"x_asap_maxstep",
    "meta_type":"type-value",
    "meta_description":"Maxstep in Angstrom for geometry optimization",
    "meta_parent_section":"section_sampling_method",
    "meta_data_type":"float"
  },{
    "meta_name":"x_asap_temperature",
    "meta_type":"type-value",
    "meta_description":"Temperature used in molecular-dynamics",
    "meta_parent_section":"section_sampling_method",
    "meta_data_type":"float"
  },{
    "meta_name":"x_asap_timestep",
    "meta_type":"type-value",
    "meta_description":"Timestep in molecular dynamics",
    "meta_parent_section":"section_sampling_method",
    "meta_data_type":"float"
  }]
}