[ViewVC] Diff of: group/trunk/mdtools/interface_implementation/LJ

Comparing trunk/mdtools/interface_implementation/LJ_FF.cpp (file contents):
Revision 253 by chuckv, Thu Jan 30 15:20:21 2003 UTC vs.
Revision 254 by chuckv, Thu Jan 30 20:03:37 2003 UTC

#	Line 9 \| Line 9 \| using namespace std;
9		#include "SRI.hpp"
10		#include "simError.h"
11
12	–
12		// Declare the structures that will be passed by the parser and MPI
13
14		typedef struct{
#	Line 25 \| Line 24 \| *int parseAtomLJ( char lineBuffer, int lineNum, atomSt**
24		int parseAtomLJ( char *lineBuffer, int lineNum, atomStruct &info );
25
26		#ifdef IS_MPI
28	–
27		#include "mpiForceField.h"
28
29		MPI_Datatype mpiAtomStructType;
#	Line 73 \| Line 71 \| LJ_FF::LJ_FF(){
71		// begins the actual forcefield stuff.
72		//****************************************************************
73
74	+
75		LJ_FF::LJ_FF(){
76
77		char fileName[200];
#	Line 438 \| Line 437 \| void LJ_FF::initializeAtoms( void ){
437
438		#ifdef IS_MPI
439		double tempBig = bigSigma;
440	<	MPI::COMM_WORLD::Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX );
440	>	MPI::COMM_WORLD.Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX );
441		#endif //is_mpi
442
443		//calc rCut and rList

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