mirror of https://gitlab.com/QEF/q-e.git
48 lines
3.2 KiB
SYSTEMD
48 lines
3.2 KiB
SYSTEMD
RESTART INFORMATION
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12
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20
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0
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NUMBER OF IMAGES
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8
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ENERGIES, POSITIONS AND GRADIENTS
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Image: 1
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-1.8191492163
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-4.566700090000 0.000000000000 0.000000000000 0.000263966525 -0.000000000000 -0.000000000000 1 0 0
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000 0 0 0
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1.557766760000 0.000000000000 0.000000000000 -0.000077850906 -0.000000000000 -0.000000000000 1 0 0
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Image: 2
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-1.8184849483
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-3.802450485314 0.000000000000 0.000000000000 0.001665934182 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.567922391980 0.000000000000 0.000000000000 0.000051280375 -0.000000000000 -0.000000000000
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Image: 3
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-1.8164313942
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-3.094248426358 0.000000000000 0.000000000000 0.004191610424 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.600879697794 0.000000000000 0.000000000000 0.000655604655 -0.000000000000 -0.000000000000
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Image: 4
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-1.8135778876
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-2.511386975767 0.000000000000 0.000000000000 0.004530231038 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.696014749773 0.000000000000 0.000000000000 0.002227456512 -0.000000000000 -0.000000000000
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Image: 5
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-1.8116886031
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-2.046342320076 0.000000000000 0.000000000000 0.000708401076 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.932553290160 0.000000000000 0.000000000000 0.000898501292 -0.000000000000 -0.000000000000
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Image: 6
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-1.8139742717
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-1.677561728478 0.000000000000 0.000000000000 -0.002308486566 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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2.588778140831 0.000000000000 0.000000000000 -0.004623494416 -0.000000000000 -0.000000000000
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Image: 7
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-1.8178017435
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-1.577964160185 0.000000000000 0.000000000000 -0.000256728470 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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3.485819294356 0.000000000000 0.000000000000 -0.002755199691 -0.000000000000 -0.000000000000
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Image: 8
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-1.8191492268
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-1.557766760000 0.000000000000 0.000000000000 0.000073324914 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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4.566700090000 0.000000000000 0.000000000000 -0.000224251240 -0.000000000000 -0.000000000000
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