| 22 |
|
#define HARMONIC_BOND 1 |
| 23 |
|
|
| 24 |
|
|
| 25 |
< |
namespace TPE { // restrict the access of the folowing to this file only. |
| 25 |
> |
namespace DUFF_NS { // restrict the access of the folowing to this file only. |
| 26 |
|
|
| 27 |
|
|
| 28 |
|
// Declare the structures that will be passed by MPI |
| 420 |
|
|
| 421 |
|
} // namespace |
| 422 |
|
|
| 423 |
< |
using namespace TPE; |
| 423 |
> |
using namespace DUFF_NS; |
| 424 |
|
|
| 425 |
|
|
| 426 |
|
//**************************************************************** |
| 1408 |
|
} |
| 1409 |
|
|
| 1410 |
|
|
| 1411 |
< |
int TPE::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ |
| 1411 |
> |
int DUFF_NS::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ |
| 1412 |
|
|
| 1413 |
|
char* the_token; |
| 1414 |
|
|
| 1502 |
|
else return 0; |
| 1503 |
|
} |
| 1504 |
|
|
| 1505 |
< |
int TPE::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ |
| 1505 |
> |
int DUFF_NS::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ |
| 1506 |
|
|
| 1507 |
|
char* the_token; |
| 1508 |
|
char bondType[30]; |
| 1579 |
|
} |
| 1580 |
|
|
| 1581 |
|
|
| 1582 |
< |
int TPE::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ |
| 1582 |
> |
int DUFF_NS::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ |
| 1583 |
|
|
| 1584 |
|
char* the_token; |
| 1585 |
|
|
| 1667 |
|
else return 0; |
| 1668 |
|
} |
| 1669 |
|
|
| 1670 |
< |
int TPE::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ |
| 1670 |
> |
int DUFF_NS::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ |
| 1671 |
|
|
| 1672 |
|
char* the_token; |
| 1673 |
|
|