22 |
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#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 |
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|
28 |
|
// Declare the structures that will be passed by MPI |
420 |
|
|
421 |
|
} // namespace |
422 |
|
|
423 |
< |
using namespace TPE; |
423 |
> |
using namespace DUFF_NS; |
424 |
|
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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 |
|
|