Zhang, Yuanpeng zhangy3 at ornl.gov
Thu Sep 15 14:36:23 BST 2022

Hi Isaac,

It seems that the program is still reading the 'SWAP ::' section in the .dat file for some reason.

The 'SWAP_MULTI ::' for sure will work in 6.7.9 if you set it up correctly. Could you please help sharing the .dat file with me (zhangy3 at ornl.gov) so I can check?



Dr. Yuanpeng Zhang
Neutron Scattering Scientist
Spallation Neutron Source
Oak Ridge National Laboratory
1 bethel valley road, Oak Ridge, TN 37830, US
Mobile: +1(865)-335-4818
Email: zhangy3 at ornl.gov | Web: https://www.iris2020.net <https://www.iris2020.net/>

On 9/15/22, 08:20, "rmcprofile-users on behalf of Isaac Abrahams 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

    has anyone had managed to get SWAP_MULTI :: to work in version 6.7.9? 
    SWAP :: works fine but if I try to the following

     > SWAP_ATOMS :: 1 2 0.5
     > SWAP_ATOMS :: 3 4 0.5

    I get

      No atom swap moves will be generated,
      atoms will only be translated.

    Any thoughts?


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