n2mix1.splot2d               Title of this file
shcoeffs    n2mix1.SHARM.h01               Name of file containing SHARM coefficients                                                                                                                                                                                                                      
ncoeffs     23               no. of SHARM coefficients - determined from coefficients file                                                                                                                                                                                                   
ident       0               = 0 for identical molecules, else 1 if different                                                                                                                                                                                                                
nsmoo       0               number of smoothings on coefficients                                                                                                                                                                                                                            
xdim        10               x dimension of plotting square                                                                                                                                                                                                                                  
ydim        10               y dimension of plotting square                                                                                                                                                                                                                                  
mpixel      50               Number of pixels in each direction [50]                                                                                                                                                                                                                         
rmin_rmax   2 10               minimum radius of plot                                                                                                                                                                                                                                          
use_l1_l2   1 1 1               use l1, l2 and l (1 or 0) [1 0 1]                                                                                                                                                                                                                               
use_n1_n2   0 0               use n1 and n2 (1 or 0)                                                                                                                                                                                                                                          
use_m       1               use m2 (1 or 0)                                                                                                                                                                                                                                                 
mirrorsym   no               Apply mirror symmetry (y or no) [no]                                                                                                                                                                                                                            
nvary       4               vary thetal (1), phil (2), phim(3), thetam(4), chim(5)                                                                                                                                                                                                          
ph_th_ch    0 0 0 0               thetal, phil, phim, chim (degrees - separated by spaces)                                                                                                                                                                                                        
ncolour     1               Number of colours needed for palette [1]                                                                                                                                                                                                                        

colour   1

colourfrac  0               colour fraction (0 - 1) [0]                                                                                                                                                                                                                                     
rgbvalues   1 1 1               RGB values for this colour fraction (separated by spaces) [1 1 1]                                                                                                                                                                                               
ncontour    0               no of contours [0]                                                                                                                                                                                                                                              
wherecont   base               Where to put contours (surface, base, both) [base]                                                                                                                                                                                                              
addcons     1.0               Constant to add to final reconstruction [1.0]                                                                                                                                                                                                                   
surfonly    y               Surface only? (y or no) [no]                                                                                                                                                                                                                                    
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      x [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      y [A]               y-axis label                                                                                                                                                                                                                                                    
setgrid     y               set grid> (y or no) [no]                                                                                                                                                                                                                                        
smoothness  0 0               degree of interpolation along x and y (1 1 = no interpolation, 0 0 = optimal [0 0]                                                                                                                                                                              
plotrotate  0               Rotation of plot (deg) [0]                                                                                                                                                                                                                                      
extcoeff    .SHARM.h01               extension of coefficients file                                                                                                                                                                                                                                  
q
