diff --git a/src/COLVARS/fix_colvars.cpp b/src/COLVARS/fix_colvars.cpp index 538d7ac321..6e52000e12 100644 --- a/src/COLVARS/fix_colvars.cpp +++ b/src/COLVARS/fix_colvars.cpp @@ -48,20 +48,18 @@ #include "colvarmodule.h" #include "colvarproxy.h" #include "colvarproxy_lammps.h" -#include "colvarscript.h" #include "colvars_memstream.h" - +#include "colvarscript.h" /* struct for packed data communication of coordinates and forces. */ struct LAMMPS_NS::commdata { - int tag,type; - double x,y,z,m,q; + int tag, type; + double x, y, z, m, q; }; -inline std::ostream & operator<< (std::ostream &out, const LAMMPS_NS::commdata &cd) +inline std::ostream &operator<<(std::ostream &out, const LAMMPS_NS::commdata &cd) { - out << " (" << cd.tag << "/" << cd.type << ": " - << cd.x << ", " << cd.y << ", " << cd.z << ") "; + out << " (" << cd.tag << "/" << cd.type << ": " << cd.x << ", " << cd.y << ", " << cd.z << ") "; return out; } @@ -72,7 +70,7 @@ using namespace FixConst; using namespace IntHash_NS; // initialize static class members -int FixColvars::instances=0; +int FixColvars::instances = 0; /*************************************************************** create class and parse arguments in LAMMPS script. Syntax: @@ -303,8 +301,7 @@ void FixColvars::set_thermostat_temperature() error->one(FLERR, "Could not find thermostat fix ID {}", tfix_name); } int tmp = 0; - double *tt = reinterpret_cast(tstat_fix->extract("t_target", - tmp)); + double *tt = reinterpret_cast(tstat_fix->extract("t_target", tmp)); if (tt) { t_target = *tt; } else {