[RMCProfile-users] GSAS2 Indexing bug with Data2Config

[SUMMER, ARON (PGR)]

Hi All,

I'm changing the initial atom order of my .rmc6f file (generated using GSAS2) using data2config and found that several of my atoms in the final .rmc6f file were missing the second data entry (atom number identifier [#]), after a quick look I believe this is because of a indexing discrepancy between the old GSAS using Fortran (starting at 1) and GSAS2 using Python (starting at 0).

The [0] entries in the column are removed during the re-ordering leaving vacant data entries in the column.

It's a easy enough bug to work around, but figured I should report it anyway.

Kind regards,
Aron
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