From 2c738669ff74a009ba860d21155a2fe34ba37212 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Fri, 4 Oct 2024 16:15:34 -0600 Subject: [PATCH] compute_temp_sphere does not modify positions --- src/compute_temp_sphere.cpp | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index 2ee067abcb..65c2cdf3cc 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -14,6 +14,7 @@ #include "compute_temp_sphere.h" #include "atom.h" +#include "atom_masks.h" #include "domain.h" #include "error.h" #include "force.h" @@ -76,6 +77,8 @@ ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) : if (!atom->omega_flag) error->all(FLERR, "Compute temp/sphere requires atom attribute omega"); if (!atom->radius_flag) error->all(FLERR, "Compute temp/sphere requires atom attribute radius"); + + datamask_modify = ALL_MASK & ~X_MASK; } /* ---------------------------------------------------------------------- */