diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index c71ffbc3fd..cf3161e8a8 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -145,9 +145,6 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) : id_temp = NULL; temperature = NULL; - // flangevin is unallocated until first call to setup() - // compute_scalar checks for this and returns 0.0 if flangevin is NULL - energy = 0.0; flangevin = NULL; franprev = NULL; @@ -827,7 +824,7 @@ int FixLangevin::modify_param(int narg, char **arg) double FixLangevin::compute_scalar() { - if (!tallyflag || flangevin == NULL) return 0.0; + if (!tallyflag) return 0.0; // capture the very first energy transfer to thermal reservoir