Jon Grumer
Hi @AhmedSiddiq995 - open 4f systems are complex and requires a lot of experience with the codes. Unexpected things sometimes occur fot the cases which push the boundaries of the...
Hi Gediminas! Nice to hear from you! I have worked more on RMCDHF, RCI and RTRANSITION (the latter two gives weird results for cases with +1999 eigenstates/block), but not on...
@gaigalas Yes! I will let you know when I have something that is a bit more stable :)
@gaigalas Yes, that part seems fine! It's more on the diagonalization side of things where I have most problems currently. As well as in the calculation of the matrix elements...
@mrgodef Maybe, I don't recognise that particular error message. I've mostly worked on getting the code to run for larger sets of eigenvalues (up ~10k) rather than large expansions. But...
So, to keep this issue up to date: @cffischer have now submitted quick fixes to some of the tools routines, extending to dimensions of 200 - these are now in...
Great! I've finally allocated some time and will create a pull request asap.
@cffischer - in relation to the fixes you submitted in the pending pull request #19 - would you like to elaborate a bit more on the issue you outlined above,...
Ok great! I'll fix it then! Thanks Charlotte! :)
@cffischer In response to "Why upgrade?" We better keep the codes running with the latest version of OpenMPI right? Seems to me like an example of fundamental maintainence we just...