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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13
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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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-1.8182622222
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-3.678775731987 0.000000000000 0.000000000000 0.002010151248 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.571054484936 0.000000000000 0.000000000000 0.000059444950 -0.000000000000 -0.000000000000
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Image: 3
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-1.8154459222
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-2.881231246141 0.000000000000 0.000000000000 0.004569046494 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.629315245144 0.000000000000 0.000000000000 0.002255284564 -0.000000000000 -0.000000000000
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Image: 4
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-1.8122623120
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-2.249629517919 0.000000000000 0.000000000000 0.002179778546 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
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1.814441374940 0.000000000000 0.000000000000 0.003822460493 -0.000000000000 -0.000000000000
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Image: 5
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-1.8122623130
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-1.814441272550 0.000000000000 0.000000000000 -0.003822464161 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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2.249629767064 0.000000000000 0.000000000000 -0.002179779647 -0.000000000000 -0.000000000000
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Image: 6
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-1.8154459227
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-1.629315290018 0.000000000000 0.000000000000 -0.002255295158 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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2.881231365318 0.000000000000 0.000000000000 -0.004569045175 -0.000000000000 -0.000000000000
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Image: 7
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-1.8182622223
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-1.571054548535 0.000000000000 0.000000000000 -0.000059459491 -0.000000000000 -0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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3.678775805575 0.000000000000 0.000000000000 -0.002010150962 -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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