Lindqvist -- a blog about Linux and Science. Mostly.

Lindqvist - a blog about Linux and Science. Mostly.

Pages

▼
Showing posts with label g16. Show all posts
Showing posts with label g16. Show all posts
09 October 2023

676. Mixed basis set with gaussian when continuing from a chk-file

›
 I'm currently working with computations on paramagnetic species, so being able to read the geometry from the chk-file is important in o...
29 November 2019

657. More on charges in nwchem and gaussian

›
A now ten-year old paper introduced the concept of Pauling bond-strength conserving terminations (PBS ) in the use of molecular codes for ca...
14 February 2018

647. Linda/G16 and ecce + slurm

›
I had the opportunity to test G16 with Linda on my cluster. Suprisingly, I observed a decent reduction in computational time for geometry op...
›
Home
View web version

Contributors

  • El Súper
  • lindqvist
Powered by Blogger.