diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index 6a376f20fc..ec570d22e4 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -99,6 +99,7 @@ void ComputeTempSphere::init() if (tbias->igroup != igroup) error->all(FLERR,"Bias compute group does not match compute group"); tbias->init(); + tbias->setup(); if (strcmp(tbias->style,"temp/region") == 0) tempbias = 2; else tempbias = 1; } diff --git a/src/modify.cpp b/src/modify.cpp index 47b382116d..9c843b8ab4 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -161,6 +161,7 @@ void Modify::init() // needs to come before compute init // this is b/c some computes call fix->dof() // FixRigid::dof() depends on its own init having been called + // NOTE: 2/13, this may no longer be needed b/c computes do dof in setup() for (i = 0; i < nfix; i++) fix[i]->init(); diff --git a/src/velocity.cpp b/src/velocity.cpp index e69b6d67a5..eb64b8cc90 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -156,6 +156,7 @@ void Velocity::create(double t_desired, int seed) if (igroup != temperature->igroup && comm->me == 0) error->warning(FLERR,"Mismatch between velocity and compute groups"); temperature->init(); + temperature->setup(); // store a copy of current velocities @@ -531,6 +532,7 @@ void Velocity::scale(int narg, char **arg) if (igroup != temperature->igroup && comm->me == 0) error->warning(FLERR,"Mismatch between velocity and compute groups"); temperature->init(); + temperature->setup(); // scale temp to desired value