65 for (i = 0; i < imax; ++i)
70 rhs[i] = state[i + imax];
104 double store, newpot;
107 for (i = 0; i < imax; ++i)
119 forces[i] = pot0 - newpot;
139 for (i = 0; i < imax; ++i)
151 if (newpot < pot)
break;
153 if (dt < 1e-3)
break;
158 for (i = 0; i < imax; ++i)
172 const double dt = 0.2;
187 for (i = 0; i < imax; ++i)
194 for (i = 0; i < imax; ++i)
201 for (i = 0; i < imax; ++i)
208 for (i = 0; i < imax; ++i)
void evalF(const C_FLOAT64 *t, const C_FLOAT64 *y, C_FLOAT64 *ydot)
std::vector< double > mRhs
virtual const std::vector< double > & getMassVector() const
void setOstream(std::ostream &os)
std::vector< double > mRhsA
std::vector< double > mVariables
virtual const std::vector< double > & getInitialValues() const =0
std::ostringstream mErrorMsg
static void EvalF(const C_INT *n, const C_FLOAT64 *t, const C_FLOAT64 *y, C_FLOAT64 *ydot)
std::vector< C_INT > mIWork
CAbstractLayoutInterface * mpLayout
std::vector< C_FLOAT64 > mDWork
void calcRHS(std::vector< double > &state, double *rhs)
virtual double getPotential()=0
std::vector< double > mRhsB
unsigned int getNumVariables() const
virtual bool setState(const std::vector< double > &vars)=0
CLayoutEngine(CAbstractLayoutInterface *l, bool so)
void calcForces(std::vector< double > &state, std::vector< double > &forces)
std::vector< double > mVar2
std::vector< double > mRhsC