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