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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 1710 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1711 by gezelter, Sat May 19 02:58:35 2012 UTC

# Line 89 | Line 89 | namespace OpenMD {
89      RealType* electroMult;    /**< multiplier for electrostatic interactions */
90      potVec* pot;              /**< total potential */
91      RealType* vpair;          /**< pair potential */
92 +    bool doParticlePot;       /**< should we bother with the particle pot? */
93      RealType* particlePot1;   /**< pointer to particle potential for atom1 */
94      RealType* particlePot2;   /**< pointer to particle potential for atom2 */
95      Vector3d* f1;             /**< force between the two atoms */
# Line 124 | Line 125 | namespace OpenMD {
125      Mat3x3d* eFrame;        /**< pointer to electrostatic frame for atom */
126      RealType* skippedCharge;/**< charge skipped in pairwise interaction loop */
127      potVec* pot;            /**< total potential */
128 +    bool doParticlePot;     /**< should we bother with the particle pot? */
129      RealType* particlePot;  /**< contribution to potential from this particle */
130      Vector3d* t;            /**< pointer to resultant torque on atom */
131      RealType* rho;          /**< electron density */

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