HTMACat-kit

Contents:

  • Installation Guide
  • Getting started
  • Examples
  • HTMACat package
HTMACat-kit
  • Overview: module code

All modules for which code is available

  • HTMACat.Base_tools
  • HTMACat.Extract_info
  • HTMACat.IO
  • HTMACat.NEB.Construct_neb
  • HTMACat.NEB.Dismove
  • HTMACat.NEB.post_neb
  • HTMACat.catkit.build
  • HTMACat.catkit.gen.adsorption
  • HTMACat.catkit.gen.surface
  • HTMACat.catkit.gen.symmetry
  • HTMACat.catkit.gen.utils.connectivity
  • HTMACat.catkit.gen.utils.coordinates
  • HTMACat.catkit.gen.utils.graph
  • HTMACat.catkit.gen.utils.utilities
  • HTMACat.catkit.gen.utils.utils_mdnm
  • HTMACat.catkit.gen.utils.vectors
  • HTMACat.catkit.gratoms
  • HTMACat.command
  • HTMACat.descriptor.Construct_descriptor
  • HTMACat.descriptor.Construct_descriptor_NEB
  • HTMACat.descriptor.Construct_descriptor_coad
  • HTMACat.descriptor.Construct_descriptor_surface
  • HTMACat.descriptor.Construct_descriptor_surface_single
  • HTMACat.model.Ads
  • HTMACat.model.Construct_adsorption_yaml
  • HTMACat.model.Species
  • HTMACat.model.Structure
  • HTMACat.model.Substrate
  • HTMACat.post.Extract_cal_fre
  • HTMACat.post.cal_adsE

© Copyright 2023, Jiaqiang Yang; Feifeng Wu; Bin Shan.

Built with Sphinx using a theme provided by Read the Docs.