jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

rename Pair::single to single2nd

This commit is contained in:
Andrew Schultz 2019-06-14 13:48:31 -04:00
parent 053ac654c3
commit db3de8a31b
4 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/USER-HMA/compute_hma.cpp
View File

@ -318,7 +318,7 @@ void ComputeHMA::compute_vector()
if (rsq < cutsq[itype][jtype]) {
double* jdr = deltaR[j];
double fforce, d2u[6];
force->pair->single2(i, j, itype, jtype, rsq, delr, factor_coul, factor_lj, fforce, d2u);
force->pair->single2nd(i, j, itype, jtype, rsq, delr, factor_coul, factor_lj, fforce, d2u);
int m = 0;
for (int k=0; k<3; k++) {
double a = fac;

2
src/pair.h
View File

@ -149,7 +149,7 @@ class Pair : protected Pointers {
void pairTensor(double fforce, double dfac, double delr[3], double phiTensor[6]);
virtual double single2(int, int, int, int,
virtual double single2nd(int, int, int, int,
double, double[3], double, double,
double& fforce, double d2u[6]) {
fforce = 0.0;

2
src/pair_lj_smooth_linear.cpp
View File

@ -347,7 +347,7 @@ double PairLJSmoothLinear::single(int /*i*/, int /*j*/, int itype, int jtype,
return factor_lj*philj;
}
double PairLJSmoothLinear::single2(int /*i*/, int /*j*/, int itype, int jtype, double rsq,
double PairLJSmoothLinear::single2nd(int /*i*/, int /*j*/, int itype, int jtype, double rsq,
double delr[3], double factor_coul, double factor_lj,
double &fforce, double d2u[6])
{

2
src/pair_lj_smooth_linear.h
View File

@ -38,7 +38,7 @@ class PairLJSmoothLinear : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
double single2(int, int, int, int, double, double[3], double, double, double&, double[6]);
double single2nd(int, int, int, int, double, double[3], double, double, double&, double[6]);
protected:
double cut_global;