1 #include "CoulombEwaldRealForce.h" 2 using std::string; 3 using namespace ProtoMol::Report; 4 namespace ProtoMol { 5 //_________________________________________________________________ CoulombEwaldRealForce 6 7 const string CoulombEwaldRealForce::keyword("CoulombEwaldReal"); 8 CoulombEwaldRealForce()9 CoulombEwaldRealForce::CoulombEwaldRealForce():myAlpha(-1.0){} 10 CoulombEwaldRealForce(Real a)11 CoulombEwaldRealForce::CoulombEwaldRealForce(Real a):myAlpha(a), 12 myAlphaSquared(a*a), 13 my2AlphaPI(2.0*a/sqrt(M_PI)){} 14 getParameters(std::vector<Parameter> & parameters) const15 void CoulombEwaldRealForce::getParameters(std::vector<Parameter>& parameters) const{ 16 parameters.push_back(Parameter("-alpha",Value(myAlpha,ConstraintValueType::Positive()),Text("Ewald splitting"))); 17 } 18 make(std::string &,const std::vector<Value> & values)19 CoulombEwaldRealForce CoulombEwaldRealForce::make(std::string& , const std::vector<Value>& values) { 20 return CoulombEwaldRealForce(values[0]); 21 } 22 23 } 24