Use atomic symbols only for XYZ files#6
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danieleongari wants to merge 1 commit intopeverati:masterfrom
Open
Use atomic symbols only for XYZ files#6danieleongari wants to merge 1 commit intopeverati:masterfrom
danieleongari wants to merge 1 commit intopeverati:masterfrom
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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!