Gaussian 16 Revision A.03 //free\\

No software is perfect. Users of Gaussian 16 Rev. A.03 reported several quirks:

To achieve optimal performance, the following specifications are recommended for Rev. A.03: Gaussian 16 Revision A.03

: This facility allows users to define arbitrary internal coordinates for use in optimization constraints and other specialized tasks. No software is perfect

Revision A.03 focused heavily on efficiency for large-scale molecular modeling: and Perl .

Compared to Rev. A.01/A.02, Revision A.03 introduced:

: It provides native support for NVIDIA Tesla K40 and K80 GPUs under Linux, specifically for Hartree-Fock and DFT calculations. Note that it does not support newer V100 or A100 GPUs, which require later revisions.

: New tools were added to interface Gaussian with external programs using Fortran, C, Python, and Perl .