diff --git a/src/COLVARS/group_ndx.cpp b/src/COLVARS/group_ndx.cpp index a45c0c1bf0..0e9da8cce3 100644 --- a/src/COLVARS/group_ndx.cpp +++ b/src/COLVARS/group_ndx.cpp @@ -47,7 +47,7 @@ static int cmptagint(const void *p1, const void *p2) void Group2Ndx::command(int narg, char **arg) { - FILE *fp; + FILE *fp = nullptr; if (narg < 1) error->all(FLERR,"Illegal group2ndx command"); @@ -57,8 +57,7 @@ void Group2Ndx::command(int narg, char **arg) if (comm->me == 0) { fp = fopen(arg[0], "w"); if (fp == nullptr) - error->one(FLERR,"Cannot open index file for writing: {}", - utils::getsyserror()); + error->one(FLERR,"Cannot open index file for writing: {}", utils::getsyserror()); utils::logmesg(lmp,"Writing groups to index file {}:\n",arg[0]); } diff --git a/src/EFF/fix_nvt_sllod_eff.cpp b/src/EFF/fix_nvt_sllod_eff.cpp index 8b7c6bac9b..333c98668c 100644 --- a/src/EFF/fix_nvt_sllod_eff.cpp +++ b/src/EFF/fix_nvt_sllod_eff.cpp @@ -51,6 +51,7 @@ FixNVTSllodEff::FixNVTSllodEff(LAMMPS *lmp, int narg, char **arg) : modify->add_compute(fmt::format("{} {} tmp/deform/eff", id_temp,group->names[igroup])); tcomputeflag = 1; + nondeformbias = 0; } /* ---------------------------------------------------------------------- */