Oskar Weser
Oskar Weser
Dear @fstein93 , Thank you for all these comments and sorry for our late answer. I was gone for a longer time. > It is sad if only the intel...
Can you compile with gcc10? > Unrelated to that, you might also consider to switch to the modern mpi_f08 standard which solves several issues of the old interfaces. That is...
> ERI=Electron Repulsion Integral Ah good to know. As I wrote above they reside already in node-shared memory. Regarding GCC10, I leave the issue open and we aim for updating...
Ok this is good news. If the problems in DEBUG only result from escalating warnings to errors and you still want DEBUG, then you can set ```cmake set( ${PROJECT_NAME}_Fortran_WARN_ERROR_FLAG "")...
Thank you for the bug report and the already found solution. I am pretty sure that this would not have been a problem some time ago. Overall numpy and pandas...
fixed in #103
- [x] tests tests tests - [x] no mutable default arguments - [ ] break into functions - [ ] smaller helper function for doing a step and then backwards...
A remaining issue is the parallel execution of `get_grad_B`
Thanks for looking into it. > Have you checked that there is no sphinx error loading the bib file itself? If it works, there should be a message in the...
I changed to ``` .. bibliography:: ``` but unfortunately everything stays the same, i.e. - `make html` and `sphinx-build ...` work, but - `sphinx-multiversion` does not