[ViewVC] Diff of: group/branches/new_design/OOPSE-4/src/UseTheForce/WATER.cpp

Comparing trunk/OOPSE-4/src/UseTheForce/WATER.cpp (file contents):
Revision 1492 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 1628 by gezelter, Thu Oct 21 20:15:31 2004 UTC

#	Line 13 \| Line 13 \| using namespace std;
13		#include "primitives/SRI.hpp"
14		#include "utils/simError.h"
15
16	–	#include "UseTheForce/fortranWrappers.hpp"
16
17	+	#include "UseTheForce/DarkSide/atype_interface.h"
18	+	#include "UseTheForce/DarkSide/sticky_interface.h"
19	+
20		#ifdef IS_MPI
21		#include "UseTheForce/mpiForceField.h"
22		#endif // is_mpi
#	Line 253 \| Line 255 \| WATER::WATER(){
255		headDirectionalType = NULL;
256		currentDirectionalType = NULL;
257
256	–	// do the funtion wrapping
257	–	wrapMeFF( this );
258	–
258		#ifdef IS_MPI
259		int i;
260
#	Line 392 \| Line 391 \| void WATER::initForceField( int ljMixRule ){
391		}
392
393
394	<	void WATER::initForceField( int ljMixRule ){
394	>	void WATER::initForceField(){
395
396	<	initFortran( ljMixRule, entry_plug->useReactionField );
396	>	initFortran(entry_plug->useReactionField );
397		}
398
399
#	Line 569 \| Line 568 \| void WATER::readParams( void ){
568		if ( currentDirectionalType->isDipole ) entry_plug->useDipoles = 1;
569		if ( currentDirectionalType->isSticky ) {
570		entry_plug->useSticky = 1;
571	<	set_sticky_params( &(currentDirectionalType->w0),
571	>	makeStickyType( &(currentDirectionalType->w0),
572		&(currentDirectionalType->v0),
573		&(currentDirectionalType->v0p),
574		&(currentDirectionalType->rl),

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