CPMD Version 3.0

This major update included changes to improve the portability of the code to other platforms. Most notable was the SHMEM interface for optimal parallel performance on Cray computers. New features of this version were constant pressure molecular dynamics using the Parrinello-Rahman Lagrangian, the possibility for symmetry constraints and S. Goedecker's dual space pseudopotentials. The library concept for the pseudopotentials had been changed. The code had grown to 55000 lines.