Bug #2727
fe_change.sh adds blank lines between surface and molecule
| Status: | New | Start date: | 01/20/2020 | |
|---|---|---|---|---|
| Priority: | High | Due date: | ||
| Assignee: | Carles Marti | % Done: | 0% |
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| 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
Now modules/fe_change.sh works even if the surface file ends with blank lines; fixes #2727