org.jmol.minimize.forcefield
abstract class Calculation extends Object
Field Summary | |
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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 | |
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abstract double | compute(Object[] dataIn) |
double | getEnergy() |
void | getPointers(Object[] dataIn) |