[ase-users] Write xyz file with out output charge
George Zhang
jerryzhang0130 at gmail.com
Sun Dec 25 07:10:07 CET 2016
Hello,
When I use ase to print xyz file, it always also put out charge
34
Lattice="1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0" Properties=species:S:1:pos:R:3:Z:I:1 pbc="F F F"
N 4.92000022 2.84089617 -0.00000014 7
C 2.45590912 4.26182984 -0.00000000 6
C 7.38409170 4.26183014 -0.00000009 6
C 0.00000002 -0.00128730 0.00000007 6
C 4.91999988 -0.00342010 -0.00000004 6
C 2.46433264 0.00564396 0.00000002 6
………………………………………………..
Is there an option just output xyz file without output the last charge column (7,6,6,6,…). Thank you for your time.
QZ
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