# | Line 480 | Line 480 | class OOPSEMinimizerBase : public RealIntegrator { | |
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480 | virtual ~OOPSEMinimizerBase(); | |
481 | ||
482 | double calcGradient(vector<double>& x, vector<double>& grad); | |
483 | < | void setOptCoor(vector<double>& x); |
484 | < | vector<double> getOptCoor(); |
483 | > | void setCoor(vector<double>& x); |
484 | > | vector<double> getCoor(); |
485 | void output(vector<double>& x, int iteration); | |
486 | int getDim() {return dim;} | |
487 | + | void constraintMove(); |
488 | + | void shakeF(); |
489 | + | void shakeR(); |
490 | protected: | |
491 | ||
492 | int dim; |
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