Rasmus Lundsgaard
Rasmus Lundsgaard
> I think everything is fixed up with the exception of the one @TermeHansen commented on above. The import into other addons doesn't seem to work without it. Is there...
@enen92 I think this is ready now :)
Any news on how to link from extension to mimetype?
I have big problems getting this fairly small 1,2-iodine ethane to converge with SCF ``` molecule mol { 0 1 I 1.78090 1.29650 -1.04840 I -1.80460 1.42450 0.81600 C -0.74760...
sorry, yes I use PBE with def2-SV(P) - with basis_guess I can get the first 2 or 3 iterations to converge but then it also fails SCF converge. without basis_guess...
yes I want to optimize this molecule, but even: ``` set scf_type df set BASIS def2-SV(P) energy('pbe') ``` fail to converge. with "set basis_guess True" it will converge energy (but...
My thought is also that this issue maybe is ECP related.
Thanks @PeterKraus, I'm pretty sure I was also trying all the guess algorithms but probably with the basis_guess also - annoying... -and that is probably the root of the problem...
Couldn't we just make access to pulseaudio instead? https://github.com/mscdex/paclient
What is the status of this feature? It would be really nice to have this just working, without the need of admin to start and stop the docker...