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Studer Gabriel authoredStuder Gabriel authored
steep.hh 589 B
#ifndef OST_STEEP_H_
#define OST_STEEP_H_
#include <ost/base.hh>
#include <cmath>
#include <sstream>
#include <vector>
#include <iostream>
#include <cstdio>
#include <ctime>
#include <ost/message.hh>
namespace OpenMM{
class Context; //hacky way of telling the Context is around.
//will be included in source file to avoid
//dependencies on external libraries
}
namespace ost { namespace mol { namespace mm{
class Steep {
public:
static bool Minimize(OpenMM::Context& context, double tolerance = 100, uint maxIterations = 1000);
};
}}}
#endif