Multiwfn forum / Update to procgriddata.f90

Re: Update to procgriddata.f90

dummy@example.com (kjelljorner) — Wed, 24 May 2023 17:42:15 +0000

Thanks!

dummy@example.com (sobereva) — Wed, 24 May 2023 15:55:30 +0000

OK, the source code will be updated in the next release.

dummy@example.com (kjelljorner) — Wed, 24 May 2023 15:23:53 +0000

The file procgriddata.f90 has a current non-standard comparison between logicals that causes the following error with GFortran.

"Error: Logicals at (1) must be compared with .eqv. instead of =="

This currently prevents the build of https://github.com/digital-chemistry-la … -mac-build. It can be updated like this:

- write(10,*) count(cub_do==.true.)
+ write(10,*) count(cub_do .eqv. .true.)^M