etomica.potential

## Class P2HeSimplified

• ### Nested Class Summary

Nested Classes
Modifier and Type Class and Description
`class ` `P2HeSimplified.P2HeQFH`
This inner class can calculates the Feynman-Hibbs semiclassical approximation for the potential.
`class ` `P2HeSimplified.P2HeTI`
• ### Field Summary

Fields
Modifier and Type Field and Description
`protected double` `A0`
`protected double` `A1`
`protected double` `A2`
`protected double` `A3`
`protected double` `sigmaHC2`
`static boolean` `useC10`
• ### Fields inherited from class etomica.potential.Potential2SoftSpherical

`boundary, dr, gradient`
• ### Fields inherited from class etomica.potential.Potential

`space`
• ### Constructor Summary

Constructors
Constructor and Description
`P2HeSimplified(ISpace space)`
• ### Method Summary

All Methods
Modifier and Type Method and Description
`double` `d2u(double r2)`
The second derivative of the pair energy, times the square of the separation: r^2 d^2u/dr^2.
`double` `du(double r2)`
The derivative r*du/dr.
`double` `getA(int i)`
Returns the ith parameter value u = A0 * exp(-A1*r) - A2/r^6 - A3/r^X where X = 10 if useC10 is true, X=8 otherwise
`P2HeSimplified.P2HeQFH` `makeQFH(double temperature)`
`P2HeSimplified.P2HeTI` `makeTI(double temperature)`
`void` ```setA(int i, double a)```
Sets the ith parameter value u = A0 * exp(-A1*r) - A2/r^6 - A3/r^X where X = 10 if useC10 is true, X=8 otherwise
`double` `u(double r2)`
The energy u.
`double` `uInt(double rC)`
Integral used for corrections to potential truncation.
• ### Methods inherited from class etomica.potential.Potential2SoftSpherical

`energy, getRange, gradient, gradient, hyperVirial, integral, setBox, virial`
• ### Methods inherited from class etomica.potential.Potential

`nBody`
• ### Methods inherited from class java.lang.Object

`clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait`
• ### Methods inherited from interface etomica.api.IPotential

`nBody`
• ### Field Detail

• #### useC10

`public static final boolean useC10`
Constant Field Values
• #### A0

`protected double A0`
• #### A1

`protected double A1`
• #### A2

`protected double A2`
• #### A3

`protected double A3`
• #### sigmaHC2

`protected final double sigmaHC2`
Constant Field Values
• ### Constructor Detail

• #### P2HeSimplified

`public P2HeSimplified(ISpace space)`
• ### Method Detail

• #### u

`public double u(double r2)`
The energy u.
• #### du

`public double du(double r2)`
The derivative r*du/dr.
Specified by:
`du` in interface `Potential2Soft`
Specified by:
`du` in class `Potential2SoftSpherical`
• #### d2u

`public double d2u(double r2)`
The second derivative of the pair energy, times the square of the separation: r^2 d^2u/dr^2.
Specified by:
`d2u` in class `Potential2SoftSpherical`
• #### uInt

`public double uInt(double rC)`
Integral used for corrections to potential truncation.
Specified by:
`uInt` in class `Potential2SoftSpherical`
• #### makeQFH

`public P2HeSimplified.P2HeQFH makeQFH(double temperature)`
• #### makeTI

`public P2HeSimplified.P2HeTI makeTI(double temperature)`
• #### setA

```public void setA(int i,
double a)```
Sets the ith parameter value u = A0 * exp(-A1*r) - A2/r^6 - A3/r^X where X = 10 if useC10 is true, X=8 otherwise
• #### getA

`public double getA(int i)`
Returns the ith parameter value u = A0 * exp(-A1*r) - A2/r^6 - A3/r^X where X = 10 if useC10 is true, X=8 otherwise