mirror of https://gitlab.com/QEF/q-e.git
50 lines
3.6 KiB
SYSTEMD
50 lines
3.6 KiB
SYSTEMD
RESTART INFORMATION
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36
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50
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0
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NUMBER OF IMAGES
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5
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APPLY CONSTANT BIAS
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T
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ENERGIES, POSITIONS AND GRADIENTS
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Image: 1
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-25.3319799129
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1.297772181673E+01 -1.834383127371E-01 1.000000000000E+00
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0 0 0
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5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0 0 0
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0.000000000000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0 0 0
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5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0 0 0
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0.000000000000 0.000000000000 3.110553670000 0.000000000000 0.000000000000 0.000628034800 0 0 1
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Image: 2
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-25.3346787894
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1.296762681630E+01 -1.836524720963E-01 1.000000000000E+00
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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1.417555746008 1.417555746008 2.465970811319 0.000000000000 0.000000000000 -0.000180928216
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Image: 3
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-25.3313609712
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1.296119821052E+01 -1.835164565332E-01 1.000000000000E+00
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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2.705637963630 2.705637963630 1.436684484293 0.000000000000 0.000000000000 -0.000572061333
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Image: 4
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-25.3346779692
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1.296841502860E+01 -1.838895299613E-01 1.000000000000E+00
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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3.993383168392 3.993383168392 2.465803379106 0.000000000000 0.000000000000 -0.000123132557
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Image: 5
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-25.3319798782
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1.297778838631E+01 -1.834084705208E-01 1.000000000000E+00
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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5.411138430000 5.411138430000 3.110553670000 0.000000000000 0.000000000000 0.000635771044
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