diff --git a/src/comm.cpp b/src/comm.cpp index ac3376ad41..b4cf9a6eaa 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -15,11 +15,11 @@ Contributing author (triclinic) : Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "mpi.h" #include "math.h" #include "string.h" #include "stdio.h" #include "stdlib.h" -#include "mpi.h" #include "comm.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/lammps.h b/src/lammps.h index 7757823cd7..11e62f7c2e 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -14,8 +14,8 @@ #ifndef LAMMPS_H #define LAMMPS_H -#include "stdio.h" #include "mpi.h" +#include "stdio.h" namespace LAMMPS_NS { diff --git a/src/thermo.h b/src/thermo.h index 3e330d39ee..d5e00ae106 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -25,6 +25,7 @@ class Thermo : protected Pointers { public: char *style; int peflag; + int normflag; // 0 if do not normalize by atoms, 1 if normalize double potential_energy; Thermo(class LAMMPS *, int, char **); @@ -49,7 +50,6 @@ class Thermo : protected Pointers { char *format_int_user,*format_float_user; char **format,**format_user; - int normflag; // 0 if do not normalize by atoms, 1 if normalize int normvalue; // use this for normflag unless natoms = 0 int normuserflag; // 0 if user has not set, 1 if has int normuser;