source: src/Thermostats/ThermoStatContainer.hpp@ fba720

Candidate_v1.6.1 ChemicalSpaceEvaluator TremoloParser_IncreasedPrecision
Last change on this file since fba720 was 4882d5, checked in by Frederik Heber <heber@…>, 12 years ago

Rewrote VerletIntegrationAction to diminish dependence on ForceMatrix.

  • atom::VelocityVerletUpdate() now works on the forces stored in AtomicForces.
  • ThermoStatContainer::getActive() getter for the currently active thermostat.
  • VerletForceIntegration::operator() split up into several smaller functions.
  • Property mode set to 100644
File size: 889 bytes
RevLine 
[a3fded]1/*
2 * ThermoStatContainer.hpp
3 *
4 * Created on: 12.06.2010
5 * Author: heber
6 */
7
8#ifndef THERMOSTATCONTAINER_HPP_
9#define THERMOSTATCONTAINER_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
[14c57a]16#include "Thermostats/Thermostat.hpp"
[a3fded]17
[14c57a]18class ConfigFileBuffer;
[a3fded]19
20class ThermoStatContainer {
21public:
22 ThermoStatContainer();
23 ~ThermoStatContainer();
[14c57a]24 ThermostatTraits<Thermostat> *getTraitByName(const std::string name);
25 Thermostat *makeByName(const std::string name,class ConfigFileBuffer * const fb);
26 void makeActive(const std::string name,class ConfigFileBuffer * const fb);
[4882d5]27 Thermostat *getActive() {
28 return activeThermostat;
29 }
[14c57a]30 void chooseNone();
[a3fded]31
[14c57a]32 Thermostat* activeThermostat;
33 typedef std::map<std::string,ThermostatTraits<Thermostat>* > traitsMap;
34 traitsMap availThermostats;
[a3fded]35 double TargetTemp;
36};
37
38#endif /* THERMOSTATCONTAINER_HPP_ */
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