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comparison test-data/tree.txt @ 0:43fb752fc295 draft

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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
date Thu, 25 Aug 2022 16:18:08 +0000
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-1:000000000000 0:43fb752fc295
1 Si-out
2 Si-out/dftb.LICENSE
3 Si-out/dftb+
4 Si-out/dftb+/Si_1
5 Si-out/dftb+/Si_1/dftb_in.hsd
6 Si-out/dftb+/Si_1/geo_end.gen
7 Si-out/dftb+/Si_1/dftb_pin.hsd
8 Si-out/dftb+/Si_1/results.tag
9 Si-out/dftb+/Si_1/band.out
10 Si-out/dftb+/Si_1/detailed.out
11 Si-out/dftb+/Si_1/geo_end.xyz
12 Si-out/dftb+/Si_2
13 Si-out/dftb+/Si_2/dftb_in.hsd
14 Si-out/dftb+/Si_2/geo_end.gen
15 Si-out/dftb+/Si_2/dftb_pin.hsd
16 Si-out/dftb+/Si_2/results.tag
17 Si-out/dftb+/Si_2/band.out
18 Si-out/dftb+/Si_2/detailed.out
19 Si-out/dftb+/Si_2/geo_end.xyz
20 Si-out/dftb+/Si_3
21 Si-out/dftb+/Si_3/dftb_in.hsd
22 Si-out/dftb+/Si_3/geo_end.gen
23 Si-out/dftb+/Si_3/dftb_pin.hsd
24 Si-out/dftb+/Si_3/results.tag
25 Si-out/dftb+/Si_3/band.out
26 Si-out/dftb+/Si_3/detailed.out
27 Si-out/dftb+/Si_3/geo_end.xyz
28 Si-out/dftb+/Si_4
29 Si-out/dftb+/Si_4/dftb_in.hsd
30 Si-out/dftb+/Si_4/geo_end.gen
31 Si-out/dftb+/Si_4/dftb_pin.hsd
32 Si-out/dftb+/Si_4/results.tag
33 Si-out/dftb+/Si_4/band.out
34 Si-out/dftb+/Si_4/detailed.out
35 Si-out/dftb+/Si_4/geo_end.xyz
36 Si-out/dftb+/Si_5
37 Si-out/dftb+/Si_5/dftb_in.hsd
38 Si-out/dftb+/Si_5/geo_end.gen
39 Si-out/dftb+/Si_5/dftb_pin.hsd
40 Si-out/dftb+/Si_5/results.tag
41 Si-out/dftb+/Si_5/band.out
42 Si-out/dftb+/Si_5/detailed.out
43 Si-out/dftb+/Si_5/geo_end.xyz
44 Si-out/dftb+/Si_6
45 Si-out/dftb+/Si_6/dftb_in.hsd
46 Si-out/dftb+/Si_6/geo_end.gen
47 Si-out/dftb+/Si_6/dftb_pin.hsd
48 Si-out/dftb+/Si_6/results.tag
49 Si-out/dftb+/Si_6/band.out
50 Si-out/dftb+/Si_6/detailed.out
51 Si-out/dftb+/Si_6/geo_end.xyz
52 Si-out/dftb+/Si_7
53 Si-out/dftb+/Si_7/dftb_in.hsd
54 Si-out/dftb+/Si_7/geo_end.gen
55 Si-out/dftb+/Si_7/dftb_pin.hsd
56 Si-out/dftb+/Si_7/results.tag
57 Si-out/dftb+/Si_7/band.out
58 Si-out/dftb+/Si_7/detailed.out
59 Si-out/dftb+/Si_7/geo_end.xyz
60 Si-out/dftb+/Si_8
61 Si-out/dftb+/Si_8/dftb_in.hsd
62 Si-out/dftb+/Si_8/geo_end.gen
63 Si-out/dftb+/Si_8/dftb_pin.hsd
64 Si-out/dftb+/Si_8/results.tag
65 Si-out/dftb+/Si_8/band.out
66 Si-out/dftb+/Si_8/detailed.out
67 Si-out/dftb+/Si_8/geo_end.xyz
68 Si-out/dftb+/Si_9
69 Si-out/dftb+/Si_9/dftb_in.hsd
70 Si-out/dftb+/Si_9/geo_end.gen
71 Si-out/dftb+/Si_9/dftb_pin.hsd
72 Si-out/dftb+/Si_9/results.tag
73 Si-out/dftb+/Si_9/band.out
74 Si-out/dftb+/Si_9/detailed.out
75 Si-out/dftb+/Si_9/geo_end.xyz
76 Si-out/dftb+/Si_10
77 Si-out/dftb+/Si_10/dftb_in.hsd
78 Si-out/dftb+/Si_10/geo_end.gen
79 Si-out/dftb+/Si_10/dftb_pin.hsd
80 Si-out/dftb+/Si_10/results.tag
81 Si-out/dftb+/Si_10/band.out
82 Si-out/dftb+/Si_10/detailed.out
83 Si-out/dftb+/Si_10/geo_end.xyz
84 Si-out/dftb+/Si_11
85 Si-out/dftb+/Si_11/dftb_in.hsd
86 Si-out/dftb+/Si_11/geo_end.gen
87 Si-out/dftb+/Si_11/dftb_pin.hsd
88 Si-out/dftb+/Si_11/results.tag
89 Si-out/dftb+/Si_11/band.out
90 Si-out/dftb+/Si_11/detailed.out
91 Si-out/dftb+/Si_11/geo_end.xyz
92 Si-out/dftb+/Si_12
93 Si-out/dftb+/Si_12/dftb_in.hsd
94 Si-out/dftb+/Si_12/geo_end.gen
95 Si-out/dftb+/Si_12/dftb_pin.hsd
96 Si-out/dftb+/Si_12/results.tag
97 Si-out/dftb+/Si_12/band.out
98 Si-out/dftb+/Si_12/detailed.out
99 Si-out/dftb+/Si_12/geo_end.xyz
100 Si-out/dftb+/Si_13
101 Si-out/dftb+/Si_13/dftb_in.hsd
102 Si-out/dftb+/Si_13/geo_end.gen
103 Si-out/dftb+/Si_13/dftb_pin.hsd
104 Si-out/dftb+/Si_13/results.tag
105 Si-out/dftb+/Si_13/band.out
106 Si-out/dftb+/Si_13/detailed.out
107 Si-out/dftb+/Si_13/geo_end.xyz
108 Si-out/dftb+/Si_14
109 Si-out/dftb+/Si_14/dftb_in.hsd
110 Si-out/dftb+/Si_14/geo_end.gen
111 Si-out/dftb+/Si_14/dftb_pin.hsd
112 Si-out/dftb+/Si_14/results.tag
113 Si-out/dftb+/Si_14/band.out
114 Si-out/dftb+/Si_14/detailed.out
115 Si-out/dftb+/Si_14/geo_end.xyz
116 Si-out/dftb+/.collection
117 Si-out/pbc-0-3
118 Si-out/pbc-0-3/C-C.skf
119 Si-out/pbc-0-3/C-F.skf
120 Si-out/pbc-0-3/C-H.skf
121 Si-out/pbc-0-3/C-N.skf
122 Si-out/pbc-0-3/C-O.skf
123 Si-out/pbc-0-3/C-Si.skf
124 Si-out/pbc-0-3/F-C.skf
125 Si-out/pbc-0-3/F-F.skf
126 Si-out/pbc-0-3/F-H.skf
127 Si-out/pbc-0-3/F-N.skf
128 Si-out/pbc-0-3/F-O.skf
129 Si-out/pbc-0-3/F-Si.skf
130 Si-out/pbc-0-3/Fe-Fe.skf
131 Si-out/pbc-0-3/H-C.skf
132 Si-out/pbc-0-3/H-F.skf
133 Si-out/pbc-0-3/H-H.skf
134 Si-out/pbc-0-3/H-N.skf
135 Si-out/pbc-0-3/H-N_short.skf
136 Si-out/pbc-0-3/H-O.skf
137 Si-out/pbc-0-3/H-Si.skf
138 Si-out/pbc-0-3/N-C.skf
139 Si-out/pbc-0-3/N-F.skf
140 Si-out/pbc-0-3/N-H.skf
141 Si-out/pbc-0-3/N-H_short.skf
142 Si-out/pbc-0-3/N-N.skf
143 Si-out/pbc-0-3/N-O.skf
144 Si-out/pbc-0-3/N-Si.skf
145 Si-out/pbc-0-3/O-C.skf
146 Si-out/pbc-0-3/O-F.skf
147 Si-out/pbc-0-3/O-H.skf
148 Si-out/pbc-0-3/O-N.skf
149 Si-out/pbc-0-3/O-O.skf
150 Si-out/pbc-0-3/O-Si.skf
151 Si-out/pbc-0-3/Si-C.skf
152 Si-out/pbc-0-3/Si-F.skf
153 Si-out/pbc-0-3/Si-H.skf
154 Si-out/pbc-0-3/Si-N.skf
155 Si-out/pbc-0-3/Si-O.skf
156 Si-out/pbc-0-3/Si-Si.skf
157 Si-out/README