MOLPRO patch 96.4 --- 16/10/96 ============================== In order to install the patch, change to the base molpro96 directory and issue the commands gunzip < /patch.96.4.gz | /bin/sh make quicktest followed by make install when you are happy everything works properly. Changes in this version include: Fix for errors in geometry optimizer on Cray and IBM Fix for errors in core-polarization potentials (CPP) Fix to isobutene testjob on Cray and other systems. Improvements to Direct SCF code (still an experimental code). Add Direct MP2 and other integral-direct methods (still experimental). Improvements to valence-bond (CASVB) code (still beta test). Numerous internal changes to support future developments. Various compilation and other minor problems fixed. ================================================================= Note: The reference list has been updated. Additional contributors have been added to the MOLPRO reference. ================================================================= Known problems: =============== Optimizing compiler bug difficulties for certain IBM AIX versions. ================================================================= A mechanism for tracking problem reports has now been set up. Please direct all such reports to molpro-support@tc.bham.ac.uk rather than any particular individual.