asap.nomadmetainfo.json 903 Bytes
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{
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  "type":"nomad_meta_info_1_0",
  "name":"asap",
  "description":"metainfo for the asap_parser",
  "dependencies":[{
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    "relativePath":"common.nomadmetainfo.json"
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  },{
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    "relativePath":"public.nomadmetainfo.json"
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  }],
  "metaInfos":[{
    "name":"x_asap_langevin_friction",
    "description":"Friction coeffient used in Langevin dynamics",
    "superNames":["section_sampling_method"],
    "dtypeStr":"f"
  },{
    "name":"x_asap_maxstep",
    "description":"Maxstep in Angstrom for geometry optimization",
    "superNames":["section_sampling_method"],
    "dtypeStr":"f"
  },{
    "name":"x_asap_temperature",
    "description":"Temperature used in molecular-dynamics",
    "superNames":["section_sampling_method"],
    "dtypeStr":"f"
  },{
    "name":"x_asap_timestep",
    "description":"Timestep in molecular dynamics",
    "superNames":["section_sampling_method"],
    "dtypeStr":"f"
  }]
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}