watera-l6.mapgr               Title of this file
shcoeffs    watera-l6.SHARM.h01               Name of file containing spherical harmonic coefficients                                                                                                                                                                                                         
ncoeffs     1532               no. of coefficients - determined from coefficients file                                                                                                                                                                                                         
ident       0               0 for identical molecules, else 1 if different - determined from SHARM/SDF.dat file                                                                                                                                                                             
nsmoo       2.45 0 0 15               rmin and number of smoothings on coefficients on radial, spatial and orientational coeffs. [0 0 0 0]                                                                                                                                                            
mirrorsym   y               apply mirror symmetry (y or no)                                                                                                                                                                                                                                 
nviews      4               number of views (directions) to calculate g(r)                                                                                                                                                                                                                  

view   1

grtype      2               1 = radial, 2 = spatial, 3 = full orientational                                                                                                                                                                                                                 
theta_phi   54 90 0 0 90               thetal, phil, phim, thetam, chim - separated by spaces)                                                                                                                                                                                                         

view   2

grtype      3               1 = radial, 2 = spatial, 3 = full orientational                                                                                                                                                                                                                 
theta_phi   54 90 0 0 90               thetal, phil, phim, thetam, chim - separated by spaces)                                                                                                                                                                                                         

view   3

grtype      2               1 = radial, 2 = spatial, 3 = full orientational                                                                                                                                                                                                                 
theta_phi   54 0 0 180 0               thetal, phil, phim, thetam, chim - separated by spaces)                                                                                                                                                                                                         

view   4

grtype      3               1 = radial, 2 = spatial, 3 = full orientational                                                                                                                                                                                                                 
theta_phi   54 0 0 180 0               thetal, phil, phim, thetam, chim - separated by spaces)                                                                                                                                                                                                         
q
