From 827d0218db8efc7f1c20a709252ec6e8179c15df Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 19 Jan 2023 23:56:10 -0500 Subject: [PATCH] avoid that print_mode is uninitialized when called from TAD calculation --- src/REPLICA/neb.cpp | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp index 26ceb3a5fd..dfa39761ab 100644 --- a/src/REPLICA/neb.cpp +++ b/src/REPLICA/neb.cpp @@ -52,8 +52,7 @@ NEB::NEB(LAMMPS *lmp) : Command(lmp), all(nullptr), rdist(nullptr) {} NEB::NEB(LAMMPS *lmp, double etol_in, double ftol_in, int n1steps_in, int n2steps_in, int nevery_in, double *buf_init, double *buf_final) : - Command(lmp), - fp(nullptr), all(nullptr), rdist(nullptr) + Command(lmp), fp(nullptr), all(nullptr), rdist(nullptr) { double delx, dely, delz; @@ -62,6 +61,7 @@ NEB::NEB(LAMMPS *lmp, double etol_in, double ftol_in, int n1steps_in, int n2step n1steps = n1steps_in; n2steps = n2steps_in; nevery = nevery_in; + print_mode = DEFAULT; // replica info @@ -149,7 +149,6 @@ void NEB::command(int narg, char **arg) // process file-style setting to setup initial configs for all replicas int iarg = 5; int filecmd = 0; - print_mode = DEFAULT; while (iarg < narg) { if (strcmp(arg[iarg], "final") == 0) { if (iarg + 2 > narg)