colvarbias_abmd.h

// -*- c++ -*-
 
// This file is part of the Collective Variables module (Colvars).
// The original version of Colvars and its updates are located at:
// https://github.com/Colvars/colvars
// Please update all Colvars source files before making any changes.
// If you wish to distribute your changes, please submit them to the
// Colvars repository at GitHub.
 
#ifndef COLVARBIAS_ABMD_H
#define COLVARBIAS_ABMD_H
 
#include "colvarbias_restraint.h"
 
 
class colvarbias_abmd
  : public virtual colvarbias,
    public virtual colvarbias_ti
{
public:
 
  colvarbias_abmd(colvarmodule *cvmodule_in, char const *key);
  ~colvarbias_abmd() = default;
 
  int init(std::string const &conf) override;
  int update() override;
  std::string const get_state_params() const  override;
  int set_state_params(std::string const &conf) override;
  std::ostream & write_traj_label(std::ostream &os) override;
  std::ostream & write_traj(std::ostream &os) override;
 
  std::ostream & write_state_data(std::ostream &os) override {
    return colvarbias_ti::write_state_data(os);
  }
 
  cvm::memory_stream & write_state_data(cvm::memory_stream &os) override {
    return colvarbias_ti::write_state_data(os);
  }
 
  std::istream & read_state_data(std::istream &is) override {
    return colvarbias_ti::read_state_data(is);
  }
 
  cvm::memory_stream & read_state_data(cvm::memory_stream &is) override {
    return colvarbias_ti::read_state_data(is);
  }
 
  int write_output_files() override {
    return colvarbias_ti::write_output_files();
  }
 
protected:
 
  cvm::real ref_val = 0.;
 
  bool ref_initialized = false;
 
  cvm::real stopping_val = 0.;
 
  bool decreasing = false;
 
  cvm::real k = 0.;
};
 
 
#endif