Mercurial > repos > muon-spectroscopy-computational-project > pm_nq
annotate test-data/tree_dftb.txt @ 2:37a2a5686710 draft default tip
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 389608650050596b28bc0c055de9f98c513a6f65
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Fri, 26 Jul 2024 12:57:47 +0000 |
| parents | 16ef6bc73b17 |
| children |
| rev | line source |
|---|---|
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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1 geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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2 params.yaml |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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3 ethyleneMu_opt.phonons.pkl |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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4 ethyleneMu_opt.xyz |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
|
5 ethyleneMu_opt_displaced |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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6 ethyleneMu_opt_displaced/.collection |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
|
7 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
|
8 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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9 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/dftb_in.hsd |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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10 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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11 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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12 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/dftb_in.hsd |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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13 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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14 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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15 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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16 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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17 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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18 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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19 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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20 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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21 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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22 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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23 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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24 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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25 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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26 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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27 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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28 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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29 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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30 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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31 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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32 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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33 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/dftb_in.hsd |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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34 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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35 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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36 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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37 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18 |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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38 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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39 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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40 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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41 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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42 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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43 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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44 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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45 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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46 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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47 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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48 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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49 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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50 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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51 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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52 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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53 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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54 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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55 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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56 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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57 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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58 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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59 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/geo_end.gen |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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60 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/dftb_in.hsd |
|
16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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61 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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62 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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63 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/dftb_in.hsd |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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64 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9 |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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65 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/geo_end.gen |
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16ef6bc73b17
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
muon-spectroscopy-computational-project
parents:
diff
changeset
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66 ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/dftb_in.hsd |