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36 lines
716 B
Text
Executable file
36 lines
716 B
Text
Executable file
PSF EXT
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1 !NTITLE
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CP2K generated DUMP of connectivity
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4 !NATOM
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1 MOL1 1 TIP OW OW 0.000000 15.999 0
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2 MOL1 1 TIP HW HW 0.520000 1.008 0
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3 MOL1 1 TIP HW HW 0.520000 1.008 0
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4 MOL1 1 TIP MW MW -1.040000 0.000 0
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5 !NBOND
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1 2 1 3 2 4 3 4
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1 4
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1 !NTHETA
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2 1 3
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0 !NPHI
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0 !NIMPHI
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0 !NDON
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0 !NACC
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0 !NNB
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