Multiwfn forum

kjelljorner

Member

Registered: 2022-06-15

Posts: 11

Update to procgriddata.f90

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Update to procgriddata.f90

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

kjelljorner

Member

Registered: 2022-06-15

Posts: 11

Re: Update to procgriddata.f90

Thanks!