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root/OpenMD/branches/development/src/nonbonded/NonBondedInteraction.hpp
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Comparing branches/development/src/nonbonded/NonBondedInteraction.hpp (file contents):
Revision 1720 by gezelter, Sat May 19 02:58:35 2012 UTC vs.
Revision 1721 by gezelter, Thu May 24 14:17:42 2012 UTC

# Line 105 | Line 105 | namespace OpenMD {
105      RealType* frho2;          /**< density functional at second atom */
106      RealType* dfrho1;         /**< derivative of functional for atom 1 */
107      RealType* dfrho2;         /**< derivative of functional for atom 2 */
108 +    RealType* flucQ1;         /**< fluctuating charge on atom1 */
109 +    RealType* flucQ2;         /**< fluctuating charge on atom2 */
110 +    RealType* dVdFQ1;         /**< fluctuating charge force on atom1 */
111 +    RealType* dVdFQ2;         /**< fluctuating charge force on atom2 */
112 +    Vector3d* eField1;        /**< pointer to electric field on first atom */
113 +    Vector3d* eField2;        /**< pointer to electric field on second atom */
114      RealType* skippedCharge1; /**< charge skipped on atom1 in pairwise interaction loop with atom2 */
115      RealType* skippedCharge2; /**< charge skipped on atom2 in pairwise interaction loop with atom1 */
116    };

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