| 1 |
gezelter |
1610 |
/* |
| 2 |
|
|
* doForces_interface.h |
| 3 |
|
|
* oopse |
| 4 |
|
|
* |
| 5 |
|
|
* Created by Charles Vardeman II on 10/19/04. |
| 6 |
|
|
* Copyright 2004 __MyCompanyName__. All rights reserved. |
| 7 |
|
|
* |
| 8 |
|
|
*/ |
| 9 |
|
|
#ifndef USETHEFORCE_DOFORCES_INTERFACE_H |
| 10 |
|
|
#define USETHEFORCE_DOFORCES_INTERFACE_H |
| 11 |
|
|
|
| 12 |
|
|
#define __C |
| 13 |
|
|
#include "config.h" |
| 14 |
chuckv |
1617 |
|
| 15 |
|
|
#define initFortranFF F90_FUNC(initfortranff, INITFORTRANFF) |
| 16 |
|
|
#define doForceLoop F90_FUNC(doforceloop, DOFORCELOOP) |
| 17 |
|
|
|
| 18 |
gezelter |
1610 |
extern "C"{ |
| 19 |
|
|
|
| 20 |
gezelter |
1628 |
void initFortranFF( int* useReactionField, |
| 21 |
chuckv |
1617 |
int *isError ); |
| 22 |
|
|
|
| 23 |
gezelter |
1610 |
|
| 24 |
chuckv |
1617 |
void doForceLoop( double* positionArray, |
| 25 |
|
|
double* rcArray, |
| 26 |
|
|
double* RotationMatrixArray, |
| 27 |
|
|
double* unitVectorArray_l, |
| 28 |
|
|
double* forceArray, |
| 29 |
|
|
double *torqueArray, |
| 30 |
|
|
double* StressTensor, |
| 31 |
|
|
double* potentialEnergy, |
| 32 |
|
|
short int* doPotentialCalc, |
| 33 |
|
|
short int* doStressCalc, |
| 34 |
|
|
int* isError ); |
| 35 |
gezelter |
1610 |
} |
| 36 |
|
|
#endif |
