Closed pseewald closed 5 years ago
is this a row-vs-col-major issue?
looks fine, thanks. slightly amended.
is this a row-vs-col-major issue?
Yes exactly. Since this is important to know when using libint in Fortran, I updated the documentation with a hint.
looks fine, thanks. slightly amended.
Thank you.
I noticed that the dimensions of
libint2_build_3eri
were still not correct in the Fortran wrapper, this should finally fix it.