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root/OpenMD/branches/devel_omp/src/brains/SimCreator.hpp
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Comparing branches/development/src/brains/SimCreator.hpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1549 by gezelter, Wed Apr 27 18:38:15 2011 UTC

# Line 60 | Line 60 | namespace OpenMD {
60  
61    /**
62     * @class SimCreator SimCreator.hpp "brains/SimCreator.hpp"
63 <   * The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo
64 <   * instance based on the information returned by parser.
63 >   *
64 >   * The only responsibility of SimCreator is to parse the meta-data
65 >   * file and create a SimInfo instance based on the information
66 >   * returned by parser.
67     */
68    class SimCreator {
69    public:
# Line 87 | Line 89 | namespace OpenMD {
89  
90      /** create the molecules belong to current processor*/
91      virtual void createMolecules(SimInfo* info);
92 <
92 >    
93      /**
94 <     * Sets the global index for atoms, rigidbodies and cutoff groups and fill up
95 <     * globalGroupMembership and globalMolMembership arrays which map atoms'
96 <     * global index to the global index of the groups (or molecules) they belong to.
97 <     * These array are never changed during the simulation.
94 >     * Sets the global index for atoms, rigidbodies and cutoff groups
95 >     * and fill up globalGroupMembership and globalMolMembership
96 >     * arrays which map atoms' global index to the global index of the
97 >     * groups (or molecules) they belong to.  These array are never
98 >     * changed during the simulation.
99       */
100      void setGlobalIndex(SimInfo* info);
101  
# Line 108 | Line 111 | namespace OpenMD {
111      void loadCoordinates(SimInfo* info, const std::string& mdFileName);    
112  
113      std::string mdFileName_;  //save the meta-data file name which may be used later
114 +
115    };
116  
117   } //end namespace OpenMD

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