How can I input more than 32 groups in LAMMPS

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1

Dear all,

I am trying to input more than the maximum number of groups that LAMMPS can take per time according to the documentation. The documentation says there is a limit of 32 groups that one can input per time, but I want to be able to input more than this number. How can I possibly achieve this?

Thank you all in advance, your help will be very much appreciated.

Best regards,
Peter

2

Dear all,

I am trying to input more than the maximum number of groups that LAMMPS can take per time according to the documentation. The documentation says there is a limit of 32 groups that one can input per time, but I want to be able to input more than this number. How can I possibly achieve this?

you cannot. changing this would require a MAJOR rewrite of many parts of LAMMPS.

judging from previous experience, practically all cases, where people thought they needed more groups, there were alternate ways to achieving the same effect, often in a more efficient an clean way. if you dig through the mailing list archive you will find repeated discussions on this subject.

axel.

3

I think this is due to the use of bitwise group checks. In other words a lot of source code would have to change.