[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/TraPPE

Comparing trunk/OOPSE/libmdtools/TraPPE_ExFF.cpp (file contents):
Revision 463 by gezelter, Sat Apr 5 03:39:25 2003 UTC vs.
Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 UTC

#	Line 1 \| Line 1
1	<	#include <cstdlib>
2	<	#include <cstdio>
3	<	#include <cstring>
1	>	#include <stdlib.h>
2	>	#include <stdio.h>
3	>	#include <string.h>
4
5		#include <iostream>
6		using namespace std;
#	Line 872 \| Line 872 \| void TraPPE_ExFF::readParams( void ){
872		recieveFrcStruct( &bondInfo, mpiBondStructType );
873		}
874		}
875	+
876	+	sprintf( checkPointMsg,
877	+	"TraPPE_ExFF bond structures broadcast successfully." );
878	+	MPIcheckPoint();
879	+
880		#endif // is_mpi
881
882
#	Line 950 \| Line 955 \| void TraPPE_ExFF::readParams( void ){
955		recieveFrcStruct( &bendInfo, mpiBendStructType );
956		}
957		}
958	+
959	+	sprintf( checkPointMsg,
960	+	"TraPPE_ExFF bend structures broadcast successfully." );
961	+	MPIcheckPoint();
962	+
963		#endif // is_mpi
964
965
#	Line 1030 \| Line 1040 \| void TraPPE_ExFF::readParams( void ){
1040		recieveFrcStruct( &torsionInfo, mpiTorsionStructType );
1041		}
1042		}
1043	+
1044	+	sprintf( checkPointMsg,
1045	+	"TraPPE_ExFF torsion structures broadcast successfully." );
1046	+	MPIcheckPoint();
1047	+
1048		#endif // is_mpi
1049
1050		entry_plug->useLJ = 1;
#	Line 1230 \| Line 1245 \| void TraPPE_ExFF::initializeBends( int nBends, Bend**
1245		else if( the_bends[i].ghost == a ){
1246		c = a;
1247		a = b;
1248	<	b = a;
1248	>	b = c;
1249		}
1250		else{
1251		sprintf( painCave.errMsg,

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