Mercurial > repos > muon-spectroscopy-computational-project > pm_dftb_opt
diff test-data/tree.txt @ 0:43fb752fc295 draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
author | muon-spectroscopy-computational-project |
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date | Thu, 25 Aug 2022 16:18:08 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/tree.txt Thu Aug 25 16:18:08 2022 +0000 @@ -0,0 +1,157 @@ +Si-out +Si-out/dftb.LICENSE +Si-out/dftb+ +Si-out/dftb+/Si_1 +Si-out/dftb+/Si_1/dftb_in.hsd +Si-out/dftb+/Si_1/geo_end.gen +Si-out/dftb+/Si_1/dftb_pin.hsd +Si-out/dftb+/Si_1/results.tag +Si-out/dftb+/Si_1/band.out +Si-out/dftb+/Si_1/detailed.out +Si-out/dftb+/Si_1/geo_end.xyz +Si-out/dftb+/Si_2 +Si-out/dftb+/Si_2/dftb_in.hsd +Si-out/dftb+/Si_2/geo_end.gen +Si-out/dftb+/Si_2/dftb_pin.hsd +Si-out/dftb+/Si_2/results.tag +Si-out/dftb+/Si_2/band.out +Si-out/dftb+/Si_2/detailed.out +Si-out/dftb+/Si_2/geo_end.xyz +Si-out/dftb+/Si_3 +Si-out/dftb+/Si_3/dftb_in.hsd +Si-out/dftb+/Si_3/geo_end.gen +Si-out/dftb+/Si_3/dftb_pin.hsd +Si-out/dftb+/Si_3/results.tag +Si-out/dftb+/Si_3/band.out +Si-out/dftb+/Si_3/detailed.out +Si-out/dftb+/Si_3/geo_end.xyz +Si-out/dftb+/Si_4 +Si-out/dftb+/Si_4/dftb_in.hsd +Si-out/dftb+/Si_4/geo_end.gen +Si-out/dftb+/Si_4/dftb_pin.hsd +Si-out/dftb+/Si_4/results.tag +Si-out/dftb+/Si_4/band.out +Si-out/dftb+/Si_4/detailed.out +Si-out/dftb+/Si_4/geo_end.xyz +Si-out/dftb+/Si_5 +Si-out/dftb+/Si_5/dftb_in.hsd +Si-out/dftb+/Si_5/geo_end.gen +Si-out/dftb+/Si_5/dftb_pin.hsd +Si-out/dftb+/Si_5/results.tag +Si-out/dftb+/Si_5/band.out +Si-out/dftb+/Si_5/detailed.out +Si-out/dftb+/Si_5/geo_end.xyz +Si-out/dftb+/Si_6 +Si-out/dftb+/Si_6/dftb_in.hsd +Si-out/dftb+/Si_6/geo_end.gen +Si-out/dftb+/Si_6/dftb_pin.hsd +Si-out/dftb+/Si_6/results.tag +Si-out/dftb+/Si_6/band.out +Si-out/dftb+/Si_6/detailed.out +Si-out/dftb+/Si_6/geo_end.xyz +Si-out/dftb+/Si_7 +Si-out/dftb+/Si_7/dftb_in.hsd +Si-out/dftb+/Si_7/geo_end.gen +Si-out/dftb+/Si_7/dftb_pin.hsd +Si-out/dftb+/Si_7/results.tag +Si-out/dftb+/Si_7/band.out +Si-out/dftb+/Si_7/detailed.out +Si-out/dftb+/Si_7/geo_end.xyz +Si-out/dftb+/Si_8 +Si-out/dftb+/Si_8/dftb_in.hsd +Si-out/dftb+/Si_8/geo_end.gen +Si-out/dftb+/Si_8/dftb_pin.hsd +Si-out/dftb+/Si_8/results.tag +Si-out/dftb+/Si_8/band.out +Si-out/dftb+/Si_8/detailed.out +Si-out/dftb+/Si_8/geo_end.xyz +Si-out/dftb+/Si_9 +Si-out/dftb+/Si_9/dftb_in.hsd +Si-out/dftb+/Si_9/geo_end.gen +Si-out/dftb+/Si_9/dftb_pin.hsd +Si-out/dftb+/Si_9/results.tag +Si-out/dftb+/Si_9/band.out +Si-out/dftb+/Si_9/detailed.out +Si-out/dftb+/Si_9/geo_end.xyz +Si-out/dftb+/Si_10 +Si-out/dftb+/Si_10/dftb_in.hsd +Si-out/dftb+/Si_10/geo_end.gen +Si-out/dftb+/Si_10/dftb_pin.hsd +Si-out/dftb+/Si_10/results.tag +Si-out/dftb+/Si_10/band.out +Si-out/dftb+/Si_10/detailed.out +Si-out/dftb+/Si_10/geo_end.xyz +Si-out/dftb+/Si_11 +Si-out/dftb+/Si_11/dftb_in.hsd +Si-out/dftb+/Si_11/geo_end.gen +Si-out/dftb+/Si_11/dftb_pin.hsd +Si-out/dftb+/Si_11/results.tag +Si-out/dftb+/Si_11/band.out +Si-out/dftb+/Si_11/detailed.out +Si-out/dftb+/Si_11/geo_end.xyz +Si-out/dftb+/Si_12 +Si-out/dftb+/Si_12/dftb_in.hsd +Si-out/dftb+/Si_12/geo_end.gen +Si-out/dftb+/Si_12/dftb_pin.hsd +Si-out/dftb+/Si_12/results.tag +Si-out/dftb+/Si_12/band.out +Si-out/dftb+/Si_12/detailed.out +Si-out/dftb+/Si_12/geo_end.xyz +Si-out/dftb+/Si_13 +Si-out/dftb+/Si_13/dftb_in.hsd +Si-out/dftb+/Si_13/geo_end.gen +Si-out/dftb+/Si_13/dftb_pin.hsd +Si-out/dftb+/Si_13/results.tag +Si-out/dftb+/Si_13/band.out +Si-out/dftb+/Si_13/detailed.out +Si-out/dftb+/Si_13/geo_end.xyz +Si-out/dftb+/Si_14 +Si-out/dftb+/Si_14/dftb_in.hsd +Si-out/dftb+/Si_14/geo_end.gen +Si-out/dftb+/Si_14/dftb_pin.hsd +Si-out/dftb+/Si_14/results.tag +Si-out/dftb+/Si_14/band.out +Si-out/dftb+/Si_14/detailed.out +Si-out/dftb+/Si_14/geo_end.xyz +Si-out/dftb+/.collection +Si-out/pbc-0-3 +Si-out/pbc-0-3/C-C.skf +Si-out/pbc-0-3/C-F.skf +Si-out/pbc-0-3/C-H.skf +Si-out/pbc-0-3/C-N.skf +Si-out/pbc-0-3/C-O.skf +Si-out/pbc-0-3/C-Si.skf +Si-out/pbc-0-3/F-C.skf +Si-out/pbc-0-3/F-F.skf +Si-out/pbc-0-3/F-H.skf +Si-out/pbc-0-3/F-N.skf +Si-out/pbc-0-3/F-O.skf +Si-out/pbc-0-3/F-Si.skf +Si-out/pbc-0-3/Fe-Fe.skf +Si-out/pbc-0-3/H-C.skf +Si-out/pbc-0-3/H-F.skf +Si-out/pbc-0-3/H-H.skf +Si-out/pbc-0-3/H-N.skf +Si-out/pbc-0-3/H-N_short.skf +Si-out/pbc-0-3/H-O.skf +Si-out/pbc-0-3/H-Si.skf +Si-out/pbc-0-3/N-C.skf +Si-out/pbc-0-3/N-F.skf +Si-out/pbc-0-3/N-H.skf +Si-out/pbc-0-3/N-H_short.skf +Si-out/pbc-0-3/N-N.skf +Si-out/pbc-0-3/N-O.skf +Si-out/pbc-0-3/N-Si.skf +Si-out/pbc-0-3/O-C.skf +Si-out/pbc-0-3/O-F.skf +Si-out/pbc-0-3/O-H.skf +Si-out/pbc-0-3/O-N.skf +Si-out/pbc-0-3/O-O.skf +Si-out/pbc-0-3/O-Si.skf +Si-out/pbc-0-3/Si-C.skf +Si-out/pbc-0-3/Si-F.skf +Si-out/pbc-0-3/Si-H.skf +Si-out/pbc-0-3/Si-N.skf +Si-out/pbc-0-3/Si-O.skf +Si-out/pbc-0-3/Si-Si.skf +Si-out/README