[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Symplectic.cpp

Comparing trunk/OOPSE/libmdtools/Symplectic.cpp (file contents):
Revision 443 by mmeineke, Wed Apr 2 22:19:03 2003 UTC vs.
Revision 466 by gezelter, Mon Apr 7 14:30:36 2003 UTC

#	Line 5 \| Line 5
5		#include "Thermo.hpp"
6		#include "ReadWrite.hpp"
7		#include "ForceFields.hpp"
8	+	#include "ExtendedSystem.hpp"
9		#include "simError.h"
10
11		extern "C"{
#	Line 30 \| Line 31 \| *Symplectic::Symplectic( SimInfo the_entry_plug, Force**
31
32
33
34	<	Symplectic::Symplectic( SimInfo* the_entry_plug, ForceFields* the_ff ){
34	>	Symplectic::Symplectic( SimInfo* the_entry_plug, ForceFields* the_ff,
35	>	ExtendedSystem* the_es ){
36		entry_plug = the_entry_plug;
37		myFF = the_ff;
38	+	myES = the_es;
39		isFirst = 1;
40
41		molecules = entry_plug->molecules;
#	Line 48 \| Line 51 \| *Symplectic::Symplectic( SimInfo the_entry_plug, Force**
51		mass = new double[entry_plug->n_atoms];
52		for(int i = 0; i < entry_plug->n_atoms; i++){
53		mass[i] = entry_plug->atoms[i]->getMass();
54	<	}
52	<
53	<
54	>	}
55
56		// check for constraints
57

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