2 <- Topological analysis 2 <- Search CPs from nuclear positions 3 <- Search CPs from midpoint of atom pairs 8 <- Generate the path connected (3,-3) and (3,-1) 9 <- Generate the path connected (3,+1) and (3,+3) -5 <- Modify or print detail or export paths, or calculate property along a path 1 <- Print summary of paths 0 <- Return 0 <- Print and visualize all generated CPs, paths and surfaces -4 <- Modify or export CPs (critical points) -1 <- Print summary of CPs (in Angstrom) 4 <- Save CPs to CPs.txt in current folder 6 <- Export CPs as CPs.pdb file in current folder 0 <- Return 7 <- Show real space function values at specific CP or all CPs 0 <- If input 0, then properties of all CPs will be outputted to CPprop.txt in current folder -10 <- Return 4 <- Output and plot specific property in a plane 1 <- Electron Density 6 <- Gradient lines map with/without contour lines 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms -8 <- Change length unit of the graph to Angstrom -3 <- Change other plotting settings 1 <- Toggle reversing ticks, current: No 0 <- Return 6 <- Generate and show interbasin paths 15 <- Draw a contour line of vdW surface (electron density=0.001) 0 <- Save the graph to a file ! dislin.png ElectronDensityGradientLines_AtomLabels_vdW 1 <- Disable showing atom labels and reference point 0 <- Save the graph to a file ! dislin_1.png ElectronDensityGradientLines_woAtomLabels_vdW 2 <- Enable showing isovalue on contour lines 35 <- Input label size e.g. 30 0 <- Save the graph to a file ! dislin_2.png ElectronDensityGradientLines_woAtomLabels_vdW_Isovalues -5 <- Return to main menu 4 <- Output and plot specific property in a plane 1 <- Electron Density 1 <- Color-filled map 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms 4 <- Enable showing atom labels and reference point 5 <- Use which color for labelling atoms? (1/2/3/4/5 = Red/Green/Blue/White/Black 6/7/8/9/10 = Gray/Cyan/Yellow/Orange/Magenta 11/12/13/14 = Crimson/Dark green/Purple/Brown) 0 <- Save the graph to a file ! dislin_3.png ElectronDensityColor_filledMap_AtomLabels 2 <- Enable showing contour lines 0 <- Save the graph to a file ! dislin_4.png ElectronDensityColor_filledMap_AtomLabels_CountorLines 15 <- Draw a contour line of vdW surface (electron density=0.001) 0 <- Save the graph to a file ! dislin_5.png ElectronDensityColor_filledMap_AtomLabels_CountorLines_vdW 2 <- Disable showing contour lines 0 <- Save the graph to a file ! dislin_6.png ElectronDensityColor_filledMap_AtomLabels_vdW -5 <- Return to main menu 4 <- Output and plot specific property in a plane 3 <- Laplacian of electron density 1 <- Color-filled map 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms 4 <- Disable showing atom labels and reference point 0 <- Save the graph to a file ! dislin_7.png LaplacianElectronDensityColor_filledMap 2 <- Enable showing contour lines 0 <- Save the graph to a file ! dislin_8.png LaplacianElectronDensityColor_filledMap_CountorLines 15 <- Draw a contour line of vdW surface (electron density=0.001) 0 <- Save the graph to a file ! dislin_9.png LaplacianElectronDensityColor_filledMap_CountorLines_vdW 2 <- Disable showing contour lines 0 <- Save the graph to a file ! disli_10.png LaplacianElectronDensityColor_filledMap_vdW -5 <- Return to main menu 4 <- Output and plot specific property in a plane 9 <- Electron Localization Function (ELF) 1 <- Color-filled map 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms 0 <- Save the graph to a file ! disli_11.png ELFColor_filledMap 2 <- Enable showing contour lines 0 <- Save the graph to a file ! disli_12.png ELFColor_filledMap_CountorLines 15 <- Draw a contour line of vdW surface (electron density=0.001) 0 <- Save the graph to a file ! disli_13.png ELFColor_filledMap_CountorLines_vdW 2 <- Disable showing contour lines 0 <- Save the graph to a file ! disli_14.png ELFColor_filledMap_vdW -5 <- Return to main menu 4 <- Output and plot specific property in a plane 10 <- Localized orbital locator (LOL) 1 <- Color-filled map 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms 0 <- Save the graph to a file ! disli_15.png LOLColor_filledMap 2 <- Enable showing contour lines 0 <- Save the graph to a file ! disli_16.png LOLColor_filledMap_CountorLines 15 <- Draw a contour line of vdW surface (electron density=0.001) 0 <- Save the graph to a file ! disli_17.png LOLColor_filledMap_CountorLines_vdW 2 <- Disable showing contour lines 0 <- Save the graph to a file ! disli_18.png LOLColor_filledMap_vdW -5 <- Return to main menu 4 <- Output and plot specific property in a plane 1 <- Electron Density 6 <- Gradient lines map with/without contour lines 300,300 <- How many grids in the two dimensions respectively? -1 <- Set translation and rotation of the map for plane types 4 and 5 0,0 -73.5 4 <- Define the plane to be plotted: Define by three atoms 121,95,104 <- Number of atoms -3 <- Change other plotting settings 1 <- Toggle reversing ticks, current: No 0 <- Return 18 <- Change style of atomic labels: Only plot element symbol 3 <- Plot both element symbol and atomic index 0 <- Save the graph to a file ! disli_19.png ElectronDensityGradientLines_AtomLabels -5 <- Return to main menu -10 <- Exit