Keyword : init

Controls whether an initial molecular configuration must be read from input or created with random or ordered atomic positions. Values : yes, yesread, yesreadxyz, yesord and no. Default : init = no (if file outname.dat exists) or init = yes (otherwise). 

• no : initial configuration is read from file outname.dat.
• yes : a random configuration is generated. 
• yesread : a configuration is generated using center of mass positions and spatial orientations read from file outname.cm. If this file has fewer positions and/or orientations than the total number of molecules then all information missing is automatically created at random.
• yesreadxyz : a configuration is generated with atomic coordinates read from file outname.xy. If this file has fewer coordinates than the toital number of molecules then all information missing is created at random. 
• yesord : an ordered configuration is generated. This option only works if the total number of molecules, N, has an exact cubic root as each axis will have ∛(N) molecules equally distributed.