Changeset efd020 for src/Actions/FragmentationAction

Timestamp:

Apr 10, 2018, 6:43:12 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

8c6b68

Parents:

12f16c

git-author:

Frederik Heber <frederik.heber@…> (09/11/17 17:03:27)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:12)

Message:

Readded step-world-time to StructuralOptimization.

• adapted ForceAnnealing and its Action accordingly, i.e. they receive the old time step as the current step.
• TESTFIX: needed to add "--step-world-time 1" to ForceAnnealing regression test, results then remained exactly the same.

File:

• src/Actions/FragmentationAction/StructuralOptimizationAction.cpp (modified) (1 diff)

src/Actions/FragmentationAction/StructuralOptimizationAction.cpp

@@ -69 +69 @@
   prototype_actions.addAction(AR.getActionByName(std::string("fragment-automation")).clone());
   prototype_actions.addAction(AR.getActionByName(std::string("analyse-fragment-results")).clone());
+  prototype_actions.addAction(AR.getActionByName(std::string("step-world-time")).clone());
   prototype_actions.addAction(AR.getActionByName(std::string("force-annealing")).clone());
   prototype_actions.addAction(AR.getActionByName(std::string("output")).clone());