[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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