HTMACat-kit

Contents:

  • Installation Guide
  • Getting started
  • Examples
  • HTMACat package
HTMACat-kit
  • Python Module Index

Python Module Index

h
 
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- HTMACat
    HTMACat.Base_tools
    HTMACat.catkit
    HTMACat.catkit.build
    HTMACat.catkit.data
    HTMACat.catkit.gen
    HTMACat.catkit.gen.adsorption
    HTMACat.catkit.gen.surface
    HTMACat.catkit.gen.symmetry
    HTMACat.catkit.gen.utils
    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.configuration
    HTMACat.descriptor
    HTMACat.descriptor.Construct_descriptor
    HTMACat.descriptor.Construct_descriptor_coad
    HTMACat.descriptor.Construct_descriptor_NEB
    HTMACat.descriptor.Construct_descriptor_surface
    HTMACat.descriptor.Construct_descriptor_surface_single
    HTMACat.Extract_info
    HTMACat.IO
    HTMACat.model
    HTMACat.model.Ads
    HTMACat.model.Construct_adsorption_yaml
    HTMACat.model.Species
    HTMACat.model.Structure
    HTMACat.model.Substrate
    HTMACat.NEB
    HTMACat.NEB.Construct_neb
    HTMACat.NEB.Dismove
    HTMACat.NEB.post_neb
    HTMACat.post
    HTMACat.post.cal_adsE
    HTMACat.post.Extract_adener
    HTMACat.post.Extract_adener_alloy
    HTMACat.post.Extract_adener_site
    HTMACat.post.Extract_cal_fre

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

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