Bug #2727

fe_change.sh adds blank lines between surface and molecule

Added by Carles Marti 27 days ago.

Status:New Start date:01/20/2020
Priority:High Due date:
Assignee:Carles Marti % Done:

0%

Category:- Spent time: -
Target version:-

Description

When the .xyz surface file has final blank lines, script modules/fe_change.sh adds them between the surface and the molecule causing CP2K to crash fro wrong number of atoms.

Associated revisions

Revision 2137c2de
Added by Carles Marti 27 days ago

Now modules/fe_change.sh works even if the surface file ends with blank lines; fixes #2727

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