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
moeda
.
Show all posts
Showing posts with label
moeda
.
Show all posts
15 June 2018
651. N/EDA in GAMESS. 3. Running L/CMOEDA
›
As it turns out, while MOEDA works fine with pure and hybrid functionals, it does not appear to like PCM, giving weird results. Here's...
649. N/EDA in GAMESS. 1. Recompiling GAMESS US with NBO6
›
I need to do energy decomposition analysis (EDA), but only have licenses for Gaussian and NBO6 (i.e. not ADF, turbomole, QChem etc.). NEDA i...
›
Home
View web version
