add new explanation for warning about multiple time integrations
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@ -868,3 +868,15 @@ keyword, LAMMPS stops with the 'Invalid thermo keyword' error. But it
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is also possible, that there is just a typo in the name of a valid
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variable function. Thus it is recommended to check the failing variable
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expression very carefully.
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.. _err0032:
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One or more atoms are time integrated more than once
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----------------------------------------------------
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This is probably an error since you typically do not want to advance the
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positions or velocities of an atom more than once per timestep. This
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typically happens when there are multiple fix commands that advance atom
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positions with overlapping groups. Also, for some fix styles it is not
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immediately obvious that they include time integration. Please check
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the documentation carefully.
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@ -295,7 +295,8 @@ void Modify::init()
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int checkall;
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MPI_Allreduce(&check, &checkall, 1, MPI_INT, MPI_SUM, world);
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if (comm->me == 0 && checkall)
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error->warning(FLERR, "One or more atoms are time integrated more than once");
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error->warning(FLERR, "One or more atoms are time integrated more than once"
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+ utils::errorurl(32));
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}
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/* ----------------------------------------------------------------------
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