# | Line 479 | Line 479 | class OOPSEMinimizerBase : public RealIntegrator { | |
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479 | OOPSEMinimizerBase ( SimInfo *theInfo, ForceFields* the_ff ); | |
480 | virtual ~OOPSEMinimizerBase(); | |
481 | ||
482 | < | double calcGradient(const vector<double>& x, vector<double>& grad); |
482 | > | double calcGradient(vector<double>& x, vector<double>& grad); |
483 | void setOptCoor(vector<double>& x); | |
484 | void getOptCoor(vector<double>& x); | |
485 | void output(); |
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