> I see that David's already set up a PR for the switch to HAVE_EIGEN3. Is
> there any reason to spend some time getting this algorithm to work with eigen
> 2, or is that not really worth it?
I don't see any reason, since code is switching to Eigen 3.x, and 2.x is not
maintained.
Thanks,
-Geof
I see that David's already set up a PR for the switch to HAVE_EIGEN3. Is
there any reason to spend some time getting this algorithm to work with
eigen 2, or is that not really worth it?
On Fri, Feb 7, 2014 at 7:55 PM, Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> > I guess a third opt
> I guess a third option is the ifdef the code out if you don't have eigen3 ,
> similar to how src/charges/qtpie.cpp is ifdefed out if you don't have eigen
> at all.
That's probably a good idea. I'm trying to push as much code to Eigen 3 as
possible, since Eigen2 is EOL, and it's obviously not
I guess a third option is the ifdef the code out if you don't have eigen3 ,
similar to how src/charges/qtpie.cpp is ifdefed out if you don't have
eigen at all.
That might make the most sense.
-David
On Fri, Feb 7, 2014 at 6:38 PM, David Hall wrote:
> Today I was installing from openbabel ma
Today I was installing from openbabel master for someone and noticed the
newly added eqeq does not seem to be compatible with eigen2
Specifically, lines 166 and 169 of charges/eqeq.cpp
https://github.com/openbabel/openbabel/blob/master/src/charges/eqeq.cpp#L166
The tail, head, and colPivHousehol
