Bug #2727
fe_change.sh adds blank lines between surface and molecule
| Statut: | New | Début: | 20/01/2020 | |
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| Priorité: | High | Echéance: | ||
| Assigné à: | Carles Marti | % réalisé: | 0% |
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| Catégorie: | - | Temps passé: | - | |
| Version cible: | - |
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.
Révisions associées
Now modules/fe_change.sh works even if the surface file ends with blank lines; fixes #2727