basic version of paragauss, what functionalities

[miroi]

Dear Alexei,

would you please specify what functionalities are present in your gpl-paragauss version ?

Thanks.

[alexei-matveev]

Short memo with pointers can be found at http://paragauss.github.io/ Source for that page is in a separate branch of the repo by the github convention.

When the GPL Version was first prepared one of the major parts that was stripped from the then current version was the code for the hybrid exchange functionals. That was the major difference from the vanilla ParaGauss at the time.

[miroi]

Dear Alexei,

before continuing the struggle with the Paragauss-GPL compilation, I would be glad to discuss first if it would be possible to obtain the full ('vanilla') Paragauss version for relativistic surface calculations at GSI.de.

For that, you can drop me email, see my github profile.