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