1 |
gezelter |
117 |
/* |
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 |
124 |
|
15 |
|
|
#define initFortranFF F90_FUNC(initfortranff, INITFORTRANFF) |
16 |
|
|
#define doForceLoop F90_FUNC(doforceloop, DOFORCELOOP) |
17 |
|
|
|
18 |
gezelter |
117 |
extern "C"{ |
19 |
|
|
|
20 |
gezelter |
135 |
void initFortranFF( int* useReactionField, |
21 |
chuckv |
124 |
int *isError ); |
22 |
|
|
|
23 |
gezelter |
117 |
|
24 |
chuckv |
124 |
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 |
117 |
} |
36 |
|
|
#endif |