--- trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp 2004/02/03 20:43:08 1010 +++ trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp 2004/02/04 22:26:00 1023 @@ -7,7 +7,7 @@ class MinimizerParameterSet{ class MinimizerParameterSet{ public: - MinimizerParameterSet(); + MinimizerParameterSet() {setDefaultParameter();} MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;} void operator= (MinimizerParameterSet& param) { @@ -25,11 +25,13 @@ class MinimizerParameterSet{ fTol = DEFAULTTOLERANCE; gTol = DEFAULTTOLERANCE; + writeFrq = maxIteration; + resetFrq = maxIteration; + lsMaxIteration = 50; lsTol = 1.0e-4; } - - + void setStepTol(double tol) { stepTol = tol;} double getStepTol() { return stepTol;} @@ -48,6 +50,12 @@ class MinimizerParameterSet{ void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;} int getLineSearchMaxIteration() {return lsMaxIteration;} + void setWriteFrq(int frq) {writeFrq = frq;} + int getWriteFrq() {return writeFrq;} + + void setResetFrq(int frq) { resetFrq = frq;} + int getResetFrq() {return resetFrq;} + /* void setAbsTol(vector& tol) { absTol = tol;} vector getAbsTol() { return absTol;} @@ -69,6 +77,8 @@ class MinimizerParameterSet{ int lsMaxIteration; double lsTol; + int writeFrq; + int resetFrq; /* // Absolute tolerance vector absTol;