12 |
|
#include <fortranWrappers.hpp> |
13 |
|
|
14 |
|
#ifdef IS_MPI |
15 |
+ |
#include <mpi++.h> |
16 |
|
#include "mpiForceField.h" |
17 |
|
#endif // is_mpi |
18 |
|
|
1395 |
|
} |
1396 |
|
|
1397 |
|
|
1398 |
< |
int parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ |
1398 |
> |
int TPE::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ |
1399 |
|
|
1400 |
|
char* the_token; |
1401 |
|
|
1489 |
|
else return 0; |
1490 |
|
} |
1491 |
|
|
1492 |
< |
int parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ |
1492 |
> |
int TPE::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ |
1493 |
|
|
1494 |
|
char* the_token; |
1495 |
|
|
1541 |
|
} |
1542 |
|
|
1543 |
|
|
1544 |
< |
int parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ |
1544 |
> |
int TPE::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ |
1545 |
|
|
1546 |
|
char* the_token; |
1547 |
|
|
1629 |
|
else return 0; |
1630 |
|
} |
1631 |
|
|
1632 |
< |
int parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ |
1632 |
> |
int TPE::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ |
1633 |
|
|
1634 |
|
char* the_token; |
1635 |
|
|