Fix a warning for atoms outside the box

Description

Fix a warning for atoms outside the box

This occured because the tolerance for the check was too tight. Now the code uses a looser tolerance for the check, avoiding confusing warning.

News snippet

Fix a warning for atoms outside the box

Checklist

• I have checked that my code follows the Octopus coding standards
• I have added tests for all the new features added in this request.

changed milestone to %16.0

added Bugfix label

requested review from @martin.lueders

assigned to @nicolastd

Looks good.

approved this merge request

enabled an automatic merge when all merge checks for 1d30bdd4 pass

unapproved this merge request

approved this merge request

aborted the automatic merge because the source branch was updated. Learn more.

added 1 commit

• 12e71536 - Fix a warning for atoms outside the box

Compare with previous version

@martin.lueders Interestingly, this revealed a problem of one file been missing in a CMakeLists.txt. I am fixing it now.

added 1 commit

• e99e6b81 - Fix a warning for atoms outside the box

Compare with previous version

merged

mentioned in commit a079422c

added in Changelog label