gSOMOs

Contents:

  • 📄 Scientific Documentation
  • 🧮 Main Commands for Using gSOMOs
  • 📚 Dependencies
gSOMOs
  • Index

Index

A | B | C | D | E | F | H | I | L | M | P | S | T

A

  • analyzeSimilarity() (in module somos.cosim)

B

  • build_full_similarity_table() (in module somos.cosim)

C

  • clean_logfile_name() (in module somos.io)
  • cluster_orbitals() (in module somos.cosim)
  • cosine_similarity_with_overlap() (in module somos.cosim)
  • cross_match_all() (in module somos.cosim)

D

  • diagonalize_alpha_occ_to_beta_occ_and_virt_separately() (in module somos.proj)

E

  • extract_gaussian_info() (in module somos.io)

F

  • find_somo_candidates() (in module somos.cosim)

H

  • heatmap_MOs() (in module somos.cosim)

I

  • interactive_similarity() (in module somos.cosim)

L

  • load_mos_from_cclib() (in module somos.io)

M

  • module
    • somos.cosim
    • somos.io
    • somos.proj

P

  • parse_beta_contrib_string() (in module somos.proj)
  • project_occupied_alpha_onto_beta() (in module somos.proj)
  • projection_heatmap_from_df() (in module somos.proj)

S

  • save_similarity_per_somo_from_df() (in module somos.cosim)
  • scalar_product_with_overlap() (in module somos.cosim)
  • show_alpha_to_homo() (in module somos.proj)
  • somos.cosim
    • module
  • somos.io
    • module
  • somos.proj
    • module

T

  • tsne() (in module somos.cosim)

© Copyright 2025, Romuald Poteau.

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