Search found 3 matches

by chemphysstudent
25 Jul 2017, 18:21
Forum: Running Dalton
Topic: Frequency-Dependent Polarizability
Replies: 1
Views: 3123

Frequency-Dependent Polarizability

I'm interested in calculating the frequency-dependent polarizability of a variety of atomic clusters, ranging from diatomic to polyatomic. To start with, I just want to calculate the polarizability of a single diatom. I see there is an example of this in the Dalton documentation, however it leaves m...
by chemphysstudent
23 Jul 2017, 20:16
Forum: Installing Dalton
Topic: Dalton 2016 Installation Issue
Replies: 2
Views: 5901

Re: Dalton 2016 Installation Issue

I've "updated" Python so my computer by default calls 2.7 rather than 3.6, and now I at least get a little further. But now it appears the fortran complier fails. Any suggestions? CMake Error at /usr/local/Cellar/cmake/3.9.0/share/cmake/Modules/CMakeTestFortranCompiler.cmake:44 (message): The Fortra...
by chemphysstudent
23 Jul 2017, 17:57
Forum: Installing Dalton
Topic: Dalton 2016 Installation Issue
Replies: 2
Views: 5901

Dalton 2016 Installation Issue

I'm trying to install Dalton2016 for Mac (El Capitan). I'm following the installation procedure given at http://dalton-installation.readthedocs.io/en/latest/doc/general.html, but am having trouble on the very first step. I've downloaded the install tar.gz file, have it saved in my main directory, an...