Mod:Hunt Research Group:multiwfn bcps
Jump to navigation
Jump to search
Generate BCPs
- load .wfn file
- BCPS
- 2 Topology analysis
- 3 Search CPs from midpoint of atomic pairs
- 0 print and visualise
- Generate connecting paths (need (3,-3) points first
- 2 Search CPs from nuclear positions
- 8 Generating the paths connecting (3,-3) and (3,-1) CPs
- 0 print and visualise
- Get data for points
- 7 Show real space function values at specific CP or all CPs
- 0 Print and visualize all generated CPs, paths and interbasin surfaces
- read the CPprop.txt file
