Gaussian 16 Revision C.01 __link__ -

Gaussian 16, Revision C. 01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, Gaussian.com Gaussian 16 Rev. C.01/C.02 Release Notes | Gaussian.com

Here are some of the most noteworthy discussions regarding G16 C.01 available online: gaussian 16 revision c.01

: The revision adds detailed information to the matrix element file, including results from ONIOM layers , optimization trajectories, and AO two-electron integrals/derivatives. Summary of Revision Changes Status in Rev. C.01 GPU Support Adds NVIDIA V100; improves K40, K80, P100 Linda Dependency Mandatory upgrade to Linda 9.2 for parallel jobs Interface Tools Supports raw binary output and 8-byte integers Utility Memory New -m flag for manual memory allocation in utilities Gaussian 16, Revision C

command to handle larger, more complex molecular systems [36]. Frisch, G