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root/OpenMD/branches/development/src/primitives/StuntDouble.hpp
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Comparing branches/development/src/primitives/StuntDouble.hpp (file contents):
Revision 1701 by kstocke1, Thu Apr 5 19:37:58 2012 UTC vs.
Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC

# Line 929 | Line 929 | namespace OpenMD{
929        ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] += angle;
930      }      
931  
932 <  /**
933 <     * Returns the previous electric field of this stuntDouble
934 <     * @return the electric field of this stuntDouble
932 >
933 >    /**
934 >     * Returns the previous fluctuating charge of this stuntDouble
935 >     * @return the fluctuating charge of this stuntDouble
936       */    
937 <    Vector3d getPrevEField() {
938 <      return ((snapshotMan_->getPrevSnapshot())->*storage_).electricField[localIndex_];
937 >    RealType getPrevFlucQPos() {
938 >      return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_];
939      }
940        
941      /**
942 <     * Returns the current electric field of this stuntDouble
943 <     * @return the electric field of this stuntDouble
942 >     * Returns the current fluctuating charge of this stuntDouble
943 >     * @return the fluctuating charge of this stuntDouble
944       */    
945 <    Vector3d getEField() {
946 <      return ((snapshotMan_->getCurrentSnapshot())->*storage_).electricField[localIndex_];
945 >    RealType getFlucQPos() {
946 >      return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_];
947      }
948  
949      /**
950 <     * Returns the electric field of this stuntDouble in specified snapshot
951 <     * @return the electric field of this stuntDouble
950 >     * Returns the fluctuating charge of this stuntDouble in specified snapshot
951 >     * @return the fluctuating charge of this stuntDouble
952       * @param snapshotNo
953       */    
954 <    Vector3d getEField(int snapshotNo) {
955 <      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electricField[localIndex_];
954 >    RealType getFlucQPos(int snapshotNo) {
955 >      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_];
956      }
957  
958      /**
959 <     * Sets  the previous electric field of this stuntDouble
960 <     * @param electricField  new electric field
961 <     * @see #getEField
959 >     * Sets  the previous fluctuating charge of this stuntDouble
960 >     * @param charge  new fluctuating charge
961 >     * @see #getflucQPos
962       */        
963 <    void setPrevEField(const Vector3d& electricField) {
964 <      ((snapshotMan_->getPrevSnapshot())->*storage_).electricField[localIndex_] = electricField;
963 >    void setPrevFlucQPos(RealType charge) {
964 >      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] = charge;
965      }
966        
967      /**
968 <     * Sets  the current electric field of this stuntDouble
969 <     * @param electricField  new electric field
968 >     * Sets  the current fluctuating charge of this stuntDouble
969 >     * @param charge  new fluctuating charge
970       */        
971 <    void setEField(const Vector3d& electricField) {
972 <      DataStorage&  data = snapshotMan_->getCurrentSnapshot()->*storage_;
972 <      data.electricField[localIndex_] = electricField;
973 <      //((snapshotMan_->getCurrentSnapshot())->*storage_).electricField[localIndex_] = electricField;
971 >    void setFlucQPos(RealType charge) {
972 >      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] = charge;
973      }
974  
975      /**
976 <     * Sets  the electric field of this stuntDouble in specified snapshot
977 <     * @param electricField electric field to be set
976 >     * Sets  the fluctuating charge of this stuntDouble in specified snapshot
977 >     * @param charge fluctuating charge to be set
978       * @param snapshotNo
979 <     * @see #getEField
979 >     * @see #getflucQPos
980       */        
981 <    void setEField(const Vector3d& electricField, int snapshotNo) {
981 >    void setFlucQPos(RealType charge, int snapshotNo) {
982 >      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_] = charge;
983 >    }
984  
985 <      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electricField[localIndex_] = electricField;
985 >    /**
986 >     * Adds fluctuating charge into the previous fluctuating charge of this stuntDouble
987 >     * @param charge  new fluctuating charge
988 >     * @see #getflucQPos
989 >     */        
990 >    void addPrevFlucQPos(RealType charge) {
991 >      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] += charge;
992 >    }
993 >      
994 >    /**
995 >     * Adds fluctuating charge into the current fluctuating charge of this stuntDouble
996 >     * @param charge  new fluctuating charge
997 >     */        
998 >    void addFlucQPos(RealType charge) {
999 >      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] += charge;
1000 >    }
1001 >
1002 >    /**
1003 >     * Adds fluctuating charge into the fluctuating charge of this stuntDouble in specified snapshot
1004 >     * @param value fluctuating charge to be add
1005 >     * @param snapshotNo
1006 >     * @see #getflucQPos
1007 >     */        
1008 >    void addflucQPos(RealType charge, int snapshotNo) {
1009 >      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_] += charge;
1010 >    }      
1011 >
1012 >
1013 >    /**
1014 >     * Returns the previous charge velocity of this stuntDouble
1015 >     * @return the charge velocity of this stuntDouble
1016 >     */    
1017 >    RealType getPrevFlucQVel() {
1018 >      return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_];
1019 >    }
1020 >      
1021 >    /**
1022 >     * Returns the current charge velocity of this stuntDouble
1023 >     * @return the charge velocity of this stuntDouble
1024 >     */    
1025 >    RealType getFlucQVel() {
1026 >      return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_];
1027 >    }
1028 >
1029 >    /**
1030 >     * Returns the charge velocity of this stuntDouble in specified snapshot
1031 >     * @return the charge velocity of this stuntDouble
1032 >     * @param snapshotNo
1033 >     */    
1034 >    RealType getFlucQVel(int snapshotNo) {
1035 >      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_];
1036 >    }
1037 >
1038 >    /**
1039 >     * Sets  the previous charge velocity of this stuntDouble
1040 >     * @param cvel  new charge velocity
1041 >     * @see #getflucQVel
1042 >     */        
1043 >    void setPrevFlucQVel(RealType cvel) {
1044 >      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] = cvel;
1045 >    }
1046 >      
1047 >    /**
1048 >     * Sets  the current charge velocity of this stuntDouble
1049 >     * @param cvel  new charge velocity
1050 >     */        
1051 >    void setFlucQVel(RealType cvel) {
1052 >      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] = cvel;
1053 >    }
1054  
1055 +    /**
1056 +     * Sets  the charge velocity of this stuntDouble in specified snapshot
1057 +     * @param cvel charge velocity to be set
1058 +     * @param snapshotNo
1059 +     * @see #getflucQVel
1060 +     */        
1061 +    void setFlucQVel(RealType cvel, int snapshotNo) {
1062 +      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_] = cvel;
1063      }
1064  
1065 +    /**
1066 +     * Adds charge velocity into the previous charge velocity of this stuntDouble
1067 +     * @param cvel  new charge velocity
1068 +     * @see #getflucQVel
1069 +     */        
1070 +    void addPrevFlucQVel(RealType cvel) {
1071 +      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] += cvel;
1072 +    }
1073 +      
1074 +    /**
1075 +     * Adds charge velocity into the current charge velocity of this stuntDouble
1076 +     * @param cvel  new charge velocity
1077 +     */        
1078 +    void addFlucQVel(RealType cvel) {
1079 +      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] += cvel;
1080 +    }
1081  
1082 +    /**
1083 +     * Adds charge velocity into the charge velocity of this stuntDouble in specified snapshot
1084 +     * @param value charge velocity to be add
1085 +     * @param snapshotNo
1086 +     * @see #getflucQVel
1087 +     */        
1088 +    void addflucQVel(RealType cvel, int snapshotNo) {
1089 +      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_] += cvel;
1090 +    }      
1091 +
1092 +
1093 +    /**
1094 +     * Returns the previous charge force of this stuntDouble
1095 +     * @return the charge force of this stuntDouble
1096 +     */    
1097 +    RealType getPrevFlucQFrc() {
1098 +      return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_];
1099 +    }
1100 +      
1101 +    /**
1102 +     * Returns the current charge force of this stuntDouble
1103 +     * @return the charge force of this stuntDouble
1104 +     */    
1105 +    RealType getFlucQFrc() {
1106 +      return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_];
1107 +    }
1108 +
1109 +    /**
1110 +     * Returns the charge force of this stuntDouble in specified snapshot
1111 +     * @return the charge force of this stuntDouble
1112 +     * @param snapshotNo
1113 +     */    
1114 +    RealType getFlucQFrc(int snapshotNo) {
1115 +      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_];
1116 +    }
1117 +
1118 +    /**
1119 +     * Sets  the previous charge force of this stuntDouble
1120 +     * @param cfrc  new charge force
1121 +     * @see #getflucQFrc
1122 +     */        
1123 +    void setPrevFlucQFrc(RealType cfrc) {
1124 +      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] = cfrc;
1125 +    }
1126 +      
1127 +    /**
1128 +     * Sets  the current charge force of this stuntDouble
1129 +     * @param cfrc  new charge force
1130 +     */        
1131 +    void setFlucQFrc(RealType cfrc) {
1132 +      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] = cfrc;
1133 +    }
1134 +
1135 +    /**
1136 +     * Sets  the charge force of this stuntDouble in specified snapshot
1137 +     * @param cfrc charge force to be set
1138 +     * @param snapshotNo
1139 +     * @see #getflucQFrc
1140 +     */        
1141 +    void setFlucQFrc(RealType cfrc, int snapshotNo) {
1142 +      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_] = cfrc;
1143 +    }
1144 +
1145 +    /**
1146 +     * Adds charge force into the previous charge force of this stuntDouble
1147 +     * @param cfrc  new charge force
1148 +     * @see #getflucQFrc
1149 +     */        
1150 +    void addPrevFlucQFrc(RealType cfrc) {
1151 +      ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] += cfrc;
1152 +    }
1153 +      
1154 +    /**
1155 +     * Adds charge force into the current charge force of this stuntDouble
1156 +     * @param cfrc  new charge force
1157 +     */        
1158 +    void addFlucQFrc(RealType cfrc) {
1159 +      ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] += cfrc;
1160 +    }
1161 +
1162 +    /**
1163 +     * Adds charge force into the charge force of this stuntDouble in specified snapshot
1164 +     * @param value charge force to be add
1165 +     * @param snapshotNo
1166 +     * @see #getflucQFrc
1167 +     */        
1168 +    void addflucQFrc(RealType cfrc, int snapshotNo) {
1169 +      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_] += cfrc;
1170 +    }      
1171 +
1172 +
1173 +
1174 +
1175      /** Set the force of this stuntDouble to zero */
1176      void zeroForcesAndTorques();
1177      /**

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