Lori A. Burns

I completely agree that this is still an active issue (and an edge case at that). Good news is it's at the single class level. Bad news is unlikely to...

@fevangelista reports another variation `Weird symmetry issue (Unrecognized point group bits: 118)` ``` import psi4 psi4.geometry(""" C 0.0000000338 -0.0000000615 0.0000000000 H 0.5543428106 0.3093570276 0.8977720468 H 0.5543428106 0.3093570276 -0.8977720468 H -0.9918391174...

> Francesco found another example today... I'll look into this for 1.7, but I am not touching the Molecule class until after DDD is in. Molecule escapes the DDD upheaval,...

There's a good chance that `-DBUILD_SHARED_LIBS=ON` passed to the psi4 build will heal the libint2 problem. Thanks for the report, and I'm sorry for the trouble.

To my embarrassment, that makes perfect sense considering https://github.com/psi4/psi4/blob/master/external/upstream/libint2/CMakeLists.txt#L80-L81 . If you care to try again, switch the comment marker so the BUILD_SHARED_LIBS can pass through. None of this fixes...

Great, thanks for letting me know. Leave the issue open, please, so I remember to fix it.

All fixed up after Jonathon round 1 review.

> long int? Why not just size_t which is quite literally the size type. No reason, I guess. Some modules used `long int` before we went on a `size_t` fest...

After wading into `size_t` guidance, the dangers of mixed signed/unsigned, and the deeper troubles of #1764 that need changes to the tensor classes, not just the dfocc.h `int`s, and not...

How did you come to be running those as none are in the test suite? `large-atoms` is waiting on ECP tech. `min-input` was essentially replaced by the stdsuite. The latter...