source: src/Actions/MoleculeAction/ForceAnnealingAction.hpp@ 5e17bf

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 5e17bf was 1a48d2, checked in by Frederik Heber <heber@…>, 10 years ago

Added ForceAnnealingAction.

  • also added regression test.
  • performs a single optimization step.
  • added output-every-step for debugging.
  • Property mode set to 100644
File size: 364 bytes
Line 
1/*
2 * ForceAnnealingAction.hpp
3 *
4 * Created on: Aug 02, 2014
5 * Author: heber
6 */
7
8#ifndef FORCEANNEALINGACTION_HPP
9#define FORCEANNEALINGACTION_HPP
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include "Actions/Action.hpp"
18
19#include "ForceAnnealingAction.def"
20#include "Action_impl_header.hpp"
21
22#endif // FORCEANNEALINGACTION_HPP
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