Stefan Behnle

Thank you very much, @loriab. Is there a rough schedule whether and if yes, when this will make it into the master? We are currently preparing a paper which makes...

Thanks for your work. > * Do you want REMP controlled by `mp_type` (covers all MPn > 2 and ZAPT) or `cc_type` (covers CEPA and CC)? Either is sensible, so...

Wow, thanks for your work. I'm completely fine with changing `REMP`/`OREMP` to `REMP2`/`OREMP2`. (with the limitation that it's the 2nd order energy/1st order wavefunction, but this is equivalent in the...

@loriab The equation numbers refer to Phys. Chem. Chem. Phys., 2016, 18, 11362 (http://dx.doi.org/10.1039/C6CP00164E). This is all @bozkaya 's work, i just added them while trying to understand the code....

Thanks for the comment. In fact this is not urgent at all, if someone desperately wants to try it, he/she can also fork/pull my repo. Regarding splitting up the pull...

> > The dfocc module is nice but pretty memory hungry. With systems that carry more than ~1300 basis functions i ran into problems i haven't been able to resolve...

Dear @JonathonMisiewicz and @PeterKraus, thank you very much for the valuable comments and the detailed and clear instructions on how to proceed. As i have written in the initial post,...

Ouch, the problem cannot be reproduced with the current 1.5 release as the release version will die even much earlier with ``MemoryError: std::bad_array_new_length``. When calculating array lengths for ampiitudes, residua...

@JonathonMisiewicz I'm not using conda at all, as described above, i started from a clean directory, cloned the source, ran cmake and make. The libint is the one that is...

@loriab No success, unfortunately. The option is recognized (initial cmake) ``` -- Detecting CXX compile features -- Detecting CXX compile features - done -- Building using CMake 3.19.4 Generator Unix...