| 5 |
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#define STR_DEFINE(t, s) t = MK_STR(s) |
| 6 |
|
|
| 7 |
|
|
| 8 |
< |
#include <cstdio> |
| 9 |
< |
#include <cstdlib> |
| 8 |
> |
#include <stdio.h> |
| 9 |
> |
#include <stdlib.h> |
| 10 |
|
|
| 11 |
|
#include "Atom.hpp" |
| 12 |
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#include "SimInfo.hpp" |
| 77 |
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virtual void calcRcut( void ); |
| 78 |
|
virtual void doForces( int calcPot, int calcStress ); |
| 79 |
|
|
| 80 |
< |
void setFortranForceLoop( void (*fsub) doForceLoopList ){ |
| 80 |
> |
void setFortranForceLoop( doForceLoop_TD fsub ){ |
| 81 |
|
fortranForceLoop = fsub; |
| 82 |
|
} |
| 83 |
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|
| 84 |
|
protected: |
| 85 |
|
|
| 86 |
|
void initFortran( int ljMixPolicy, int useReactionField ); |
| 87 |
< |
void (*fortranForceLoop) doForceLoopList; |
| 87 |
> |
doForceLoop_TD fortranForceLoop; |
| 88 |
|
|
| 89 |
|
FILE *frcFile; |
| 90 |
|
SimInfo* entry_plug; |
| 167 |
|
|
| 168 |
|
void initForceField( int ljMixRule ); |
| 169 |
|
|
| 170 |
+ |
void calcRcut( void ); |
| 171 |
|
private: |
| 172 |
|
|
| 173 |
|
void fastForward( char* stopText, char* searchOwner ); |
| 174 |
< |
|
| 174 |
> |
|
| 175 |
> |
double eamRcut; |
| 176 |
|
}; |
| 177 |
|
|
| 178 |
|
#endif |
