energy/virial flags with CENTROID enum

This commit is contained in:
Steve Plimpton
2020-11-18 12:17:14 -07:00
parent 35035189e6
commit 0876684780
74 changed files with 362 additions and 262 deletions

View File

@ -36,7 +36,6 @@
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
#define MAXLINE 1024
@ -63,6 +62,7 @@ PairEDIP::PairEDIP(LAMMPS *lmp) :
restartinfo = 0;
one_coeff = 1;
manybody_flag = 1;
centroidstressflag = CENTROID_NOTAVAIL;
nelements = 0;
elements = nullptr;