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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Fri, 26 Jul 2024 12:57:29 +0000
parents 43fb752fc295
children
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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