Eduard Valeyev

@davidbeckingsale yes, sure, if Umpire uses (and most importantly, manages the lifetime of) its own streambufs correctly that will solve this issue for us. Thanks!

Andy, new op type would be preferred. Unfortunately adding new type requires touching several code points (damn irreducible complexity). On Tue, Nov 19, 2019, 11:46 AM Andy Simmonett wrote: >...

@pmott91 you mentioned `/ccs/home/plot/software/Eigen3/cmake` contains the aforementioned files I presume you meant it contains `FindEigen3.cmake`? It needs to find `Eigen3Config.cmake` or `eigen3-config.cmake`. Due to nice built-in footguns Eigen's cmake module...

@susilehtola Yes this can be done if you really think this is necessary. I was not aware of any non-CCA-based consumers of Libint in open-source world though ... are there...

I think cp2k uses CCA, since they used libint1 until not too long ago ... perhaps @pseewald can confirm? @pseewald , does CP2K utilize CCA convention for Cartesian and solid...

The solids case is easy: we can make the ordering of solids to be specified as an argument to `libint2::initialize`. There is no need to reorder anything, since the order...

@loriab since #200 introduces order-3+ derivatives of 2-body ints we need to generalize the component naming ... is this still relevant?

> @loriab since #200 introduces order-3+ derivatives of 2-body ints we need to generalize the component naming ... is this still relevant? @loriab I'm generalizing component handling, please let me...

@loriab I am trying to fix the PR so that CI passes ... note that I partially reverted 76b6605 because the amount of changes needed to replace `eri` with `twobody`...

> I'm concerned about how eigen is handled in the library export. so am I ... this is the least fragile I could come up with. For a "header-only" library...