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diff test-data/tree_dftb.txt @ 0:16ef6bc73b17 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
author muon-spectroscopy-computational-project
date Fri, 03 Feb 2023 15:39:49 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/tree_dftb.txt	Fri Feb 03 15:39:49 2023 +0000
@@ -0,0 +1,66 @@
+geo_end.gen
+params.yaml
+ethyleneMu_opt.phonons.pkl
+ethyleneMu_opt.xyz
+ethyleneMu_opt_displaced
+ethyleneMu_opt_displaced/.collection
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/dftb_in.hsd
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/geo_end.gen
+ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/dftb_in.hsd