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root/OpenMD/branches/development/src/brains/SimInfo.hpp
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Comparing branches/development/src/brains/SimInfo.hpp (file contents):
Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 91 | Line 91 | namespace OpenMD{
91      /**
92       * Constructor of SimInfo
93       *
94 <     * @param molStampPairs MoleculeStamp Array. The first element of
95 <     * the pair is molecule stamp, the second element is the total
96 <     * number of molecules with the same molecule stamp in the system
94 >     * @param ff pointer to a concrete ForceField instance
95       *
96 <     * @param ff pointer of a concrete ForceField instance
99 <     *
100 <     * @param simParams
96 >     * @param simParams pointer to the simulation parameters in a Globals object
97       */
98      SimInfo(ForceField* ff, Globals* simParams);
99      virtual ~SimInfo();
# Line 108 | Line 104 | namespace OpenMD{
104       * @return return true if adding successfully, return false if the
105       * molecule is already in SimInfo
106       *
107 <     * @param mol molecule to be added
107 >     * @param mol Molecule to be added
108       */
109      bool addMolecule(Molecule* mol);
110  
# Line 385 | Line 381 | namespace OpenMD{
381  
382      /**
383       * Sets GlobalGroupMembership
388 –     * @see #SimCreator::setGlobalIndex
384       */  
385      void setGlobalGroupMembership(const vector<int>& globalGroupMembership) {
386        assert(globalGroupMembership.size() == static_cast<size_t>(nGlobalAtoms_));
# Line 394 | Line 389 | namespace OpenMD{
389  
390      /**
391       * Sets GlobalMolMembership
397 –     * @see #SimCreator::setGlobalIndex
392       */        
393      void setGlobalMolMembership(const vector<int>& globalMolMembership) {
394        assert(globalMolMembership.size() == static_cast<size_t>(nGlobalAtoms_));
# Line 667 | Line 661 | namespace OpenMD{
661      
662      /**
663       * Set MolToProcMap array
670 –     * @see #SimCreator::divideMolecules
664       */
665      void setMolToProcMap(const vector<int>& molToProcMap) {
666        molToProcMap_ = molToProcMap;

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