Changeset 108d38 for molecuilder/tests/regression/Simple_configuration/2/post/test.conf.in

Timestamp:

May 18, 2010, 3:58:58 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

9bb477, c20eac

Parents:

06f141

Message:

BUGFIX: molecule::DetermineCenterOfAll() was broken for single atom.

• in case of single atom center would be (nan, nan, nan) due to wrong list treatment.

File:

• molecuilder/tests/regression/Simple_configuration/2/post/test.conf.in (added)