Relative to version 2002.1, there are the following
changes and additions:
New features of MOLPRO2002.6
- Support for IA-64 Linux systems (HP and NEC) and HP-UX 11.22 for IA-64 (Itanium2).
- Support for NEC-SX systems.
- Support for IBM-power4 systems.
- Modified handling of Molpro system variables. The SET command has changed
- The total charge of the molecule can be specified in a variable CHARGE or on the WF
- Improved numerical geometry optimization using symmetrical displacement coordinates
- Improved numerical frequency calculations using the symmetry (AUTO option