public class vdWContrib extends ForceFieldContrib
Modifier | Constructor and Description |
---|---|
|
vdWContrib() |
|
vdWContrib(ForceField owner,
long idx1,
long idx2,
AtomicParams at1Params,
AtomicParams at2Params) |
|
vdWContrib(ForceField owner,
long idx1,
long idx2,
AtomicParams at1Params,
AtomicParams at2Params,
double threshMultiplier) |
protected |
vdWContrib(long cPtr,
boolean cMemoryOwn) |
Modifier and Type | Method and Description |
---|---|
ForceFieldContrib |
copy() |
void |
delete() |
protected void |
finalize() |
protected static long |
getCPtr(vdWContrib obj) |
double |
getEnergy(SWIGTYPE_p_double pos) |
void |
getGrad(SWIGTYPE_p_double pos,
SWIGTYPE_p_double grad) |
getCPtr
protected vdWContrib(long cPtr, boolean cMemoryOwn)
public vdWContrib()
public vdWContrib(ForceField owner, long idx1, long idx2, AtomicParams at1Params, AtomicParams at2Params, double threshMultiplier)
public vdWContrib(ForceField owner, long idx1, long idx2, AtomicParams at1Params, AtomicParams at2Params)
protected static long getCPtr(vdWContrib obj)
protected void finalize()
finalize
in class ForceFieldContrib
public void delete()
delete
in class ForceFieldContrib
public double getEnergy(SWIGTYPE_p_double pos)
getEnergy
in class ForceFieldContrib
public void getGrad(SWIGTYPE_p_double pos, SWIGTYPE_p_double grad)
getGrad
in class ForceFieldContrib
public ForceFieldContrib copy()
copy
in class ForceFieldContrib