My_BigDFT

Contents:

  • Code Documentation
  • DFT Tutorials
My_BigDFT
  • Docs »
  • Overview: module code

All modules for which code is available

  • mybigdft.iofiles.inputparams
  • mybigdft.iofiles.logfiles
  • mybigdft.iofiles.posinp
  • mybigdft.job
  • mybigdft.jobschnet
  • mybigdft.ml_workflows.geoptschnet
  • mybigdft.ml_workflows.phononschnet
  • mybigdft.workflows.convergences
  • mybigdft.workflows.dissociation
  • mybigdft.workflows.geopt
  • mybigdft.workflows.infraredspectrum
  • mybigdft.workflows.phonons
  • mybigdft.workflows.poltensor
  • mybigdft.workflows.ramanspectrum
  • mybigdft.workflows.vibpoltensor
  • mybigdft.workflows.workflow

© Copyright 2019, Maxime Moriniere, Olivier Malenfant-Thuot

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