#
# ChangeLog for src/Dynamics
#
# Generated by Trac 1.4.4
# Jan 4, 2025, 8:53:50 AM

Wed, 06 Apr 2011 13:50:41 GMT Frederik Heber <heber@…> [255829]
	* configure.ac (modified)
	* src/BoundaryPolygonSet.cpp (modified)
	* src/ConfigFileBuffer.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/OutputTemperature.hpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Formula.hpp (modified)
	* src/Graph/CheckAgainstAdjacencyFile.cpp (modified)
	* src/Helpers/Makefile.am (deleted)
	* src/Helpers/defs.hpp (modified)
	* src/Helpers/helpers.cpp (deleted)
	* src/Helpers/helpers.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Shapes/unittests/Makefile.am (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/Views/Qt4/QtStatusBar.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.hpp (modified)
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ListOfBondsUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/TesselationUnitTest.cpp (modified)
	* src/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified)
	* src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified)

	Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la ...


Wed, 02 Mar 2011 21:48:20 GMT Frederik Heber <heber@…> [435065]
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* src/Dynamics/VerletForceIntegration.hpp (added)
	* src/Makefile.am (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_atominfo.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* tests/regression/Molecules/VerletIntegration/post/test.conf (moved)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified)

	Rewrote VerletForceIntegration into a functor in Dynamics/.

	- we ...


Wed, 02 Mar 2011 21:40:51 GMT Frederik Heber <heber@…> [eb33c4]
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified)
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/post/teststep.conf (added)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (modified)

	LinearInterpolationofTrajectoriesAction only interpolates, does not ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [e355762]
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.hpp (modified)
	* src/molecule_dynamics.cpp (modified)

	Rewrote MinimiseConstrainedPotential to just use std::map instead of ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [8009ce]
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.def (modified)
	* src/AtomSet.hpp (modified)
	* src/Dynamics/OutputTemperature.hpp (added)
	* src/Makefile.am (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified)

	Rewrote OutputTemperature into a functor in Dynamics/

	- formerly ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [20943b]
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (added)
	* src/Makefile.am (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)

	Rewrote LinearInterpolationBetweenSteps into a functor in Dynamics/
 ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [9e23a3]
	* src/Dynamics/MinimiseConstrainedPotential.cpp (added)
	* src/Dynamics/MinimiseConstrainedPotential.hpp (added)
	* src/Makefile.am (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)

	Rewrote MinimiseConstrainedPotential into a functor in Dynamics/.

	- ...