1 |
< |
#include <cstdlib> |
2 |
< |
#include <cstdio> |
3 |
< |
#include <cstring> |
1 |
> |
#include <stdlib.h> |
2 |
> |
#include <stdio.h> |
3 |
> |
#include <string.h> |
4 |
|
|
5 |
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#include <iostream> |
6 |
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using namespace std; |
872 |
|
recieveFrcStruct( &bondInfo, mpiBondStructType ); |
873 |
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} |
874 |
|
} |
875 |
+ |
|
876 |
+ |
sprintf( checkPointMsg, |
877 |
+ |
"TraPPE_ExFF bond structures broadcast successfully." ); |
878 |
+ |
MPIcheckPoint(); |
879 |
+ |
|
880 |
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#endif // is_mpi |
881 |
|
|
882 |
|
|
955 |
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recieveFrcStruct( &bendInfo, mpiBendStructType ); |
956 |
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} |
957 |
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} |
958 |
+ |
|
959 |
+ |
sprintf( checkPointMsg, |
960 |
+ |
"TraPPE_ExFF bend structures broadcast successfully." ); |
961 |
+ |
MPIcheckPoint(); |
962 |
+ |
|
963 |
|
#endif // is_mpi |
964 |
|
|
965 |
|
|
1040 |
|
recieveFrcStruct( &torsionInfo, mpiTorsionStructType ); |
1041 |
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} |
1042 |
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} |
1043 |
+ |
|
1044 |
+ |
sprintf( checkPointMsg, |
1045 |
+ |
"TraPPE_ExFF torsion structures broadcast successfully." ); |
1046 |
+ |
MPIcheckPoint(); |
1047 |
+ |
|
1048 |
|
#endif // is_mpi |
1049 |
|
|
1050 |
|
entry_plug->useLJ = 1; |
1245 |
|
else if( the_bends[i].ghost == a ){ |
1246 |
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c = a; |
1247 |
|
a = b; |
1248 |
< |
b = a; |
1248 |
> |
b = c; |
1249 |
|
} |
1250 |
|
else{ |
1251 |
|
sprintf( painCave.errMsg, |