[RMCProfile-users] data2config problem

[Tucker, Matthew G.]

Dear Christoph, 

Please can you send me a copy of the cif file and rmc6f file data2config it produced to my email (tuckermg at ornl.gov) so we can look into what is going on. 

Thanks,
Matt

On 8/5/20, 5:05 AM, "rmcprofile-users on behalf of Salzmann, Christoph via rmcprofile-users" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of rmcprofile-users at shadow.nd.rl.ac.uk> wrote:

    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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