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verified publisher icon peverati

Use atomic symbols only for XYZ files

Open danieleongari opened this issue 4 years ago • 0 comments

Hi @peverati, many parsers (including the popular ASE) fail to read XYZ files with the element provided as atomic number. I suggest to correct this problem with this PR. Thanks!

danieleongari avatar Jun 25 '21 17:06 danieleongari