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XTP Manual
Workflow and Calculator Structure
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Workflow and Calculator Structure¶

xtp_map
- help
  - NAME
  - SYNOPSIS
  - DESCRIPTION
  - OPTIONS
xtp_parallel
- help
  - NAME
  - SYNOPSIS
  - DESCRIPTION
  - OPTIONS
    - eqm
    - iexcitoncl
    - iqm
    - qmmm
xtp_run
- help
  - NAME
  - SYNOPSIS
  - DESCRIPTION
  - OPTIONS
    - eanalyze
    - einternal
    - ianalyze
    - kmclifetime
    - kmcmultiple
    - mapchecker
    - neighborlist
    - vaverage
xtp_tools
- help
  - NAME
  - SYNOPSIS
  - DESCRIPTION
  - OPTIONS
    - apdft
    - coupling
    - densityanalysis
    - dftgwbse
    - diabatization
    - excitoncoupling
    - gencube
    - log2mps
    - molpol
    - partialcharges
    - spectrum
    - orb2fchk
    - orb2mol
    - mol2orb
    - gpu_benchmark

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