--- branches/development/src/nonbonded/InteractionManager.hpp 2013/02/20 15:39:39 1850 +++ branches/development/src/nonbonded/InteractionManager.hpp 2013/06/06 15:43:35 1877 @@ -60,6 +60,16 @@ namespace OpenMD { namespace OpenMD { + const static int ELECTROSTATIC_PAIR = (1 << 0); + const static int LJ_PAIR = (1 << 1); + const static int EAM_PAIR = (1 << 2); + const static int SC_PAIR = (1 << 3); + const static int STICKY_PAIR = (1 << 4); + const static int GB_PAIR = (1 << 5); + const static int MORSE_PAIR = (1 << 6); + const static int REPULSIVEPOWER_PAIR = (1 << 7); + const static int MAW_PAIR = (1 << 8); + /** * @class InteractionManager * InteractionManager is responsible for @@ -69,7 +79,7 @@ namespace OpenMD { public: InteractionManager(); - ~InteractionManager(); + virtual ~InteractionManager(); void setSimInfo(SimInfo* info) {info_ = info;} void initialize(); @@ -106,7 +116,9 @@ namespace OpenMD { * natural data structures are a map between the pair, and a set * of non-bonded interactions. */ - map, set > interactions_; + map, set > interactions_; + map, int> iHash_; + }; } #endif