git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@832 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -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"
|
||||
|
||||
@ -14,8 +14,8 @@
|
||||
#ifndef LAMMPS_H
|
||||
#define LAMMPS_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "mpi.h"
|
||||
#include "stdio.h"
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
||||
@ -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;
|
||||
|
||||
Reference in New Issue
Block a user