ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

consolidate value() functions

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-05-05 12:01:33 -04:00
parent 51a84a67f9
commit e4cb6094a4
1 changed files with 4 additions and 18 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
src/tabular_function.h
View File

@ -32,29 +32,15 @@ class TabularFunction {
void initialize();
public:
// used by pair style bop
void value(double x, double &y, int ny, double &y1, int ny1)
{
double ps = (x - xmin) * rdx + 1.0;
int ks = ps;
if (ks > size - 1) ks = size - 1;
ps = ps - ks;
if (ps > 1.0) ps = 1.0;
if (ny)
y = ((ys3[ks - 1] * ps + ys2[ks - 1]) * ps + ys1[ks - 1]) * ps +
ys[ks - 1];
if (ny1) y1 = (ys6[ks - 1] * ps + ys5[ks - 1]) * ps + ys4[ks - 1];
}
// used by pair style polymorphic
void value2(double x, double &y, int ny, double &y1, int ny1)
{
double ps = (x - xmin) * rdx;
int ks = ps + 0.5;
if (ks > size-1) ks = size-1;
if (ks < 0 ) ks = 0;
if (ks > size - 1) ks = size - 1;
if (ks < 0) ks = 0;
ps = ps - ks;
if (ny) y = ((ys3[ks]*ps + ys2[ks])*ps + ys1[ks])*ps + ys[ks];
if (ny1) y1 = (ys6[ks]*ps + ys5[ks])*ps + ys4[ks];
if (ny) y = ((ys3[ks] * ps + ys2[ks]) * ps + ys1[ks]) * ps + ys[ks];
if (ny1) y1 = (ys6[ks] * ps + ys5[ks]) * ps + ys4[ks];
}
double get_xmin() const { return xmin; }