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root/OpenMD/trunk/src/brains/SimInfo.hpp
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Comparing trunk/src/brains/SimInfo.hpp (file contents):
Revision 1929 by gezelter, Mon Aug 19 13:12:00 2013 UTC vs.
Revision 1953 by gezelter, Thu Dec 5 18:19:26 2013 UTC

# Line 149 | Line 149 | namespace OpenMD{
149        return nGlobalRigidBodies_;
150      }
151  
152 +    /** Returns the number of global bonds */        
153 +    unsigned int getNGlobalBonds(){
154 +      return nGlobalBonds_;
155 +    }
156 +
157 +    /** Returns the number of global bends */        
158 +    unsigned int getNGlobalBends() {
159 +      return nGlobalBends_;
160 +    }
161 +
162 +    /** Returns the number of global torsions */        
163 +    unsigned int getNGlobalTorsions() {
164 +      return nGlobalTorsions_;
165 +    }
166 +
167 +    /** Returns the number of global inversions */        
168 +    unsigned int getNGlobalInversions() {
169 +      return nGlobalInversions_;
170 +    }
171 +
172      int getNGlobalConstraints();
173      /**
174       * Returns the number of local molecules.
# Line 181 | Line 201 | namespace OpenMD{
201        return nTorsions_;
202      }
203  
204 <    /** Returns the number of local torsions */        
204 >    /** Returns the number of local inversions */        
205      unsigned int getNInversions() {
206        return nInversions_;
207      }
# Line 519 | Line 539 | namespace OpenMD{
539      int nGlobalIntegrableObjects_; /**< number of integrable objects in this system */
540      int nGlobalRigidBodies_;       /**< number of rigid bodies in this system (GLOBAL) */
541      int nGlobalFluctuatingCharges_;/**< number of fluctuating charges in this system (GLOBAL) */
542 <    
543 <      
542 >    int nGlobalBonds_;              /**< number of bonds in the system */
543 >    int nGlobalBends_;              /**< number of bends in the system */
544 >    int nGlobalTorsions_;           /**< number of torsions in the system */
545 >    int nGlobalInversions_;         /**< number of inversions in the system */
546 >      
547      /// Degress of freedom
548      int ndf_;          /**< number of degress of freedom (excludes constraints) (LOCAL) */
549      int ndfLocal_;     /**< number of degrees of freedom (LOCAL, excludes constraints) */

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