Jon Grumer
Jon Grumer
Oh and don't forget to also monitor the convergence of the energy levels (and whatever physical properties you are after) after each layer of MCDHF, this is crucial. But you...
Ok, I'm slowly getting up to speed after summer vacation. Sorry for the delay! You have done many things here Chen, very nice! Just summarizing the changes you have made...
@CYChenFudan Me and @mortenpi realized that you have submitted this pull request from your forked master branch of grasp. This is not ideal perhaps since any edits we will do...
@CYChenFudan Great, we'll get started with the stuff we actually can deal with now then, like sorting out the conflicting files. We need to wait for input from the other...
@gaigalas Ok great - I trust your judgement of course, so we shall remove the edits to jj2lsj (part 1 in the list above) from this patch. Let us know...
@gaigalas Great thanks GG 👍 I think I have most of them under control, I updated the list above now with "status comments", but if you could have a look...
I've now split out the rcsfgenerate fix to a separate PR (#55) that I will merge now directly since this is the most crucial fix to get into master as...
Hi Helena, For the Makefile-build you need to translate the bash `export` commands in `make_environment_gfortran` to `setenv` - as I wrote to you in the email I just sent -...
So, actually, in response to setting the FC and FFLAGS, I would recommend that you learn basic bash (csh is basically the same) before doing anything more, so you get...
Great, thanks Charlotte! I'm not currently doing much large-scale calculations with GRASP so someone with a more up to date runtime experience should give their opinion on this! I guess...