Search found 2 matches

by dphurst
28 May 2019, 21:35
Forum: Running Dalton
Topic: VCD and ECD examples for Dalton 2018?
Replies: 1
Views: 1749

VCD and ECD examples for Dalton 2018?

Does anyone have an example of using Dalton to get VCD and/or ECD data for publication similar to how people use Gaussian? Just an input file for a biologically relevant molecule would be wonderful to have to start out with. I appreciate the help!
Dow Hurst
by dphurst
28 May 2019, 21:32
Forum: Installing Dalton
Topic: Dalton 2018 "setup --gpu" support CUDA?
Replies: 1
Views: 1478

Dalton 2018 "setup --gpu" support CUDA?

Does Dalton 2018 support gpu calculations with CUDA on nvidia gpus with the ./ --gpu option? And, what routines are ported onto the GPU? I don't find any specifics in the manual on that topic in the installation chapter of the 2018 guide. Should I just make sure the latest CUDA is installed ...