Mercurial > repos > muon-spectroscopy-computational-project > muspinsim_config

annotate test-data/Basic.magres @ 4:e1e338f56656 draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author muon-spectroscopy-computational-project
date Tue, 18 Jul 2023 13:26:20 +0000
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4
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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1 #$magres-abinitio-v1.0
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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2 [atoms]
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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3 units lattice Angstrom
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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4 lattice 14.18160000000000 0.000000000000000 0.000000000000000 0.000000000000000 14.18160000000000 0.000000000000000 0.000000000000000 0.000000000000000 14.18160000000000
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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5 units atom Angstrom
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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6 atom V V 1 1.1225546637 0.0000083005 2.4235003801
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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7 atom V V 2 12.992710700 0.0000082580 11.807121856
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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8 atom Si Si 3 7.0855347250 11.815199663 11.815631556
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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9 atom H:mu H:mu 1 2.3636086201 0.0000259155 1.1817982368
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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10 [/atoms]
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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11 [magres]
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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12 units efg au
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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13 efg V 1 -0.008877 0.000022 -0.011811 0.000022 -0.030585 0.000005 -0.011811 0.000005 0.039462
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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14 efg V 2 0.221597 -0.000002 -0.009013 -0.000002 -0.109627 -0.000009 -0.009013 -0.000009 -0.111970
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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15 efg Si 3 -0.002604 -0.000000 -0.000001 -0.000000 -0.002551 -0.000009 -0.000001 -0.000009 0.005154
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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16 efg H:mu 1 -0.034266 0.000000 0.000000 0.000000 -0.034268 0.000000 0.000000 0.000000 0.068534
e1e338f56656 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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17 [/magres]