The Dalton author group is happy to announce the release of Dalton2016.
See http://daltonprogram.org for up-to-date information about how to obtain a licence and download the new release; and how to cite use in publications.
Note that we have a simplified procedure for users with valid a Dalton2015 licence (if you remember your username and password).
Because of conflicts with options for external libraries our two key programs, Dalton and LSDalton, are this time distributed as separate tar files - remember to download both of them if you want to use both of our programs.
New features in LSdalton:
PCM, energies and polarisabilities
ADMMS, ADMMP, ADMMQ
Nuclear selected NMR shielding tensor
- New faster CC3 module (Main authors: Rolf H. Myhre and Henrik Koch)
Parallel AO-SOPPA (Main authors: Frederik Beyer Kjær Hansen and Rasmus Faber)
QFIT library - fitting charges and, if desired, dipoles to simulate the electrostatic potential from a QM wave function: (Main author: Casper Steinmann)
Vibrational averaging of NMR coupling constants at SOPPA/MP2 level (Main author: Rasmus Faber)
On behalf of all the Dalton2016 authors, and with our wishes for Happy Holidays and a Happy New Year - May the force be with you, also in your computational chemistry work!
Hans Jørgen Aa. Jensen.