я все понимаю, ревизия D и С были существенными, но...Gaussian писал(а):*Feature and Usage notes: Rev E.01
This revision is primarily to fix a variety of bugs reported by users or which were uncovered by the example jobs for the 3rd edition of
Exploring Chemistry with Electronic Structure Methods.
♦ Formatted checkpoint files now include the version of G09 used and also a job status flag, so that GUIs can determine whether a
job is still running, failed or completed successfully. The number of imaginary frequencies is also included for frequency jobs.
♦ EOMCC=ListWindow now reads the window only once instead of twice.
♦ Rigid (unrelaxed) scans with large energies now generate a table of relative energies rather than ****’s.
♦ The TDHF excited states method now defaults to using the MO basis, the same default as for CIS.
♦ A fix for the reference atoms used in Hirshfeld charges will change the reported charges slightly.
♦ The overhead in using Linda parallelism with ECPs was removed.
♦ The build procedures include compiling natively for Sandybridge (AVX) x86_64 processors, including an AVX-enabled ATLAS
library. A Sandybridge/Haswell binary distribution is also available.
♦ The divide-and-conquer diagonalization and SVD routines work in a larger fraction of cases
В общем я так понимаю что до конца этого года можно забыть о новом GaussianXX
