subproptools
stable

Getting Started:

  • Installation
  • Tips

Contents:

  • Property Extraction Usage
  • Rotation Usage

subproptools API:

  • API
subproptools
  • Index
  • Edit on GitHub

Index

E | F | G | M | O | R | S

E

  • extract_requested_bcp_props() (in module subproptools.qtaim_extract)
  • extract_requested_cc_props() (in module subproptools.qtaim_extract)
  • extract_sub_props() (in module subproptools.qtaim_extract)

F

  • find_all_connections() (in module subproptools.qtaim_extract)

G

  • get_atom_vscc() (in module subproptools.qtaim_extract)
  • get_atomic_props() (in module subproptools.qtaim_extract)
  • get_bcp_properties() (in module subproptools.qtaim_extract)
  • get_cc_props() (in module subproptools.qtaim_extract)
  • get_sub_di() (in module subproptools.qtaim_extract)
  • get_sub_props() (in module subproptools.qtaim_extract)
  • get_xyz() (in module subproptools.qtaim_extract)

M

  • module
    • subproptools
    • subproptools.qtaim_extract
    • subproptools.sub_reor

O

  • output_to_gjf() (in module subproptools.sub_reor)

R

  • rotate_sheet() (in module subproptools.sub_reor)
  • rotate_substituent() (in module subproptools.sub_reor)
  • rotate_substituent_aiida() (in module subproptools.sub_reor)

S

  • sub_prop_frame() (in module subproptools.qtaim_extract)
  • subproptools
    • module
  • subproptools.qtaim_extract
    • module
  • subproptools.sub_reor
    • module

© Copyright 2023, Kevin Lefrancois-Gagnon, Robert Mawhinney. Revision 1344c2a2.

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