Lindqvist - a blog about Linux and Science. Mostly.
Pages
(Move to ...)
Home
Computational Chemistry Software
Chemistry
Wine
Kernel
Misc. Linux
OS X/Windows
whoami
▼
Showing posts with label
basis set
.
Show all posts
Showing posts with label
basis set
.
Show all posts
17 June 2013
456. Adding NWChem basis sets to ECCE. Part 2. A solution: nwchem2ecce.py
›
UPDATED! I've moved the finished scripts to here: https://sourceforge.net/projects/nwbas2ecce/ They work! I've also added a num...
19 June 2012
195. Frequency calcs in NWChem
›
It's no secret that I'm a computational 'noob'. As such as I'm learning both by reading and by doing. The doing part c...
›
Home
View web version
