[RMCProfile-users] data2config problem

Salzmann, Christoph c.salzmann at ucl.ac.uk
Wed Aug 5 09:44:30 BST 2020


Dear all,
I am making rmc6f files from a cif file. However, the rmc6f file always contains more atoms than the original cif file. I compared with files I generated some time ago with an older version of RMCProfile - they were fine. When I run the old files with the new version of RMCProfile, I get the same problem. I was able to manually delete the incorrect atoms, but I thought I would let you know!
Best wishes, Christoph
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