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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7522 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-01-10 20:20:38 +00:00
parent d9815fd977
commit 472c128004
2 changed files with 6 additions and 10 deletions
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8
src/pair_lj_smooth_linear.cpp
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@ -91,13 +91,9 @@ void PairLJSmoothLinear::compute(int eflag, int vflag)
for (jj = 0; jj < jnum; jj++) {
j = jlist[jj];
factor_lj = special_lj[sbmask(j)];
j &= NEIGHMASK;
if (j < nall) factor_lj = 1.0;
else {
factor_lj = special_lj[j/nall];
j %= nall;
}
delx = xtmp - x[j][0];
dely = ytmp - x[j][1];
delz = ztmp - x[j][2];

8
src/pair_lj_smooth_linear.h
View File

@ -1,4 +1,4 @@
/* ----------------------------------------------------------------------
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
@ -27,8 +27,8 @@ namespace LAMMPS_NS {
class PairLJSmoothLinear : public Pair {
public:
PairLJSmoothLinear(class LAMMPS *);
~PairLJSmoothLinear();
void compute(int, int);
virtual ~PairLJSmoothLinear();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
double init_one(int, int);
@ -38,7 +38,7 @@ class PairLJSmoothLinear : public Pair {
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
private:
protected:
double cut_global;
double **cut;
double **epsilon,**sigma;