[ViewVC] Diff of: group/trunk/mdtools/interface

Comparing trunk/mdtools/interface_implementation/SimSetup.cpp (file contents):
Revision 11 by mmeineke, Tue Jul 9 18:40:59 2002 UTC vs.
Revision 113 by mmeineke, Mon Sep 23 15:12:56 2002 UTC

#	Line 128 \| Line 128 \| void SimSetup::createSim( void ){
128		// create the atom and short range interaction arrays
129
130		the_atoms = new Atom*[tot_atoms];
131	<	// the_molecules = new Molecule[tot_nmol];
131	>	the_molecules = new Molecule[tot_nmol];
132
133
134		if( tot_SRI ){
#	Line 142 \| Line 142 \| void SimSetup::createSim( void ){
142		simnfo->sr_interactions = the_sris;
143		simnfo->n_exclude = tot_SRI;
144		simnfo->excludes = the_excludes;
145	+
146
147		// initialize the arrays
148
#	Line 488 \| Line 489 \| void SimSetup::makeMolecules( void ){
489
490		void SimSetup::makeMolecules( void ){
491
492	<	//empy for now
492	>	int i,j,k;
493	>
494	>	for( i=0; i<n_components; i++ ){
495	>
496	>	for( j=0; j<components_nmol[i]; j++ ){
497	>
498	>
499	>
500		}
501
502		void SimSetup::initFromBass( void ){

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