HABIT95 - A PROGRAM FOR PREDICTING THE MORPHOLOGY OF MOLECULAR-CRYSTALS AS A FUNCTION OF THE GROWTH ENVIRONMENT

Using the internal structure as a starting point, the computer program HABIT95 uses the atom-atom approximation to determine the intermolecu lar interactions in a molecular crystal. Summing all the atom-atom int eractions yields the lattice energy. Calculating the interactions alon g specific crystallographic directions allows the slice and attachment energies to be calculated. The attachment energy is a measure of the relative growth rate along specific directions and consequently the gr owth morphology can be modelled. The effects of solvents and impuritie s are considered by calculating modified attachment energy terms leadi ng to simulated habit-modified morphologies. The program is written in standard Fortran 77 and is available for Unix-based platforms.