2 What’s new since sapt2002

2.1 New in revision sapt2012.2

2.2 New in revision sapt2012.1

2.3 New in revision sapt2008.2

2.4 New in revision sapt2008.1

2.5 New in sapt2006

Note that turning DIIS on/off, as well as changing the CC convergence criterion from energy-based to energy- and amplitude-based, affects the converged CC amplitudes as well as the Eexch(1)(CCSD) SAPT correction if CC convergence thresholds are not very tight (as it is in the default case). This may lead to slight differences in the value of Eexch(1)(CCSD) between sapt2006 and older versions of SAPT.