org.jmol.minimize.forcefield
abstract class Calculation extends Object
| Field Summary | |
|---|---|
| MinAtom | a |
| MinAtom | b |
| MinAtom | c |
| MinAtom | d |
| double[] | dData |
| double | delta |
| double | dE |
| double | energy |
| int | ia |
| int | ib |
| int | ic |
| int | id |
| int[] | iData |
| FFParam | parA |
| FFParam | parB |
| FFParam | parC |
| double | rab |
| double | theta |
| Method Summary | |
|---|---|
| abstract double | compute(Object[] dataIn) |
| double | getEnergy() |
| void | getPointers(Object[] dataIn) |