# # ChangeLog for src/Actions/AtomsCalculation_impl.hpp # # Generated by Trac 1.4.4 # Jan 20, 2025, 5:28:45 AM Thu, 08 Jul 2010 12:51:15 GMT Tillmann Crueger [fa0b18] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Descriptors/AtomIdDescriptor.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) Added Observed and Selectiv iterators over internal Structures of the ... Fri, 02 Jul 2010 13:19:32 GMT Tillmann Crueger [986ed3] * src/Actions/ActionRegistry.hpp (modified) * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/ConfigFileBuffer.hpp (modified) * src/Exceptions/CustomException.hpp (modified) * src/Helpers/Assert.hpp (modified) * src/Matrix.hpp (modified) * src/Parser/MpqcParser.hpp (modified) * src/Parser/PcpParser.hpp (modified) * src/Patterns/Cacheable.hpp (modified) * src/Plane.hpp (modified) * src/UIElements/Views/StreamStringView.hpp (modified) * src/atom.hpp (modified) * src/atom_particleinfo.hpp (modified) * src/bondgraph.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/datacreator.hpp (modified) * src/element.hpp (modified) * src/errorlogger.cpp (modified) * src/errorlogger.hpp (modified) * src/gslvector.hpp (modified) * src/helpers.cpp (modified) * src/logger.cpp (modified) * src/logger.hpp (modified) * src/molecule_graph.cpp (modified) * src/periodentafel.hpp (modified) * src/tesselationhelpers.hpp (modified) * src/vector.hpp (modified) * src/verbose.hpp (modified) COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with ... Wed, 17 Mar 2010 15:19:56 GMT Tillmann Crueger [6e97e5] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/ManipulateAtomsProcess.hpp (modified) * src/Descriptors/AtomDescriptor.hpp (modified) * src/Descriptors/DescriptorBase.hpp (added) * src/Descriptors/DescriptorBase_impl.hpp (added) * src/Descriptors/MoleculeDescriptor.hpp (modified) * src/Descriptors/SelectiveIterator.hpp (added) * src/Descriptors/SelectiveIterator_impl.hpp (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (deleted) * src/helpers.hpp (modified) * src/unittests/AtomDescriptorTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added a generic Iterator that can be used to iterate only over ... Fri, 12 Mar 2010 13:16:01 GMT Tillmann Crueger [ead4e6] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.hpp (modified) * src/Descriptors/AtomTypeDescriptor_impl.hpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/World.hpp (modified) * src/atom.hpp (modified) * src/atom_atominfo.cpp (modified) * src/atom_atominfo.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/element.cpp (modified) * src/element.hpp (modified) * src/leastsquaremin.hpp (modified) * src/molecule.cpp (modified) * src/moleculelist.cpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/types.hpp (added) * src/unittests/AtomDescriptorTest.hpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/MoleculeDescriptorTest.hpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/atomsCalculationTest.hpp (modified) * src/unittests/bondgraphunittest.cpp (modified) Made the periodentafel use STL-containers instead of custom llists Wed, 10 Mar 2010 17:51:48 GMT Tillmann Crueger [23b547] * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Descriptors/AtomDescriptor.cpp (modified) * src/Descriptors/AtomTypeDescriptor.cpp (modified) * src/Descriptors/MoleculeDescriptor.cpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Patterns/Singleton.hpp (added) * src/Patterns/Singleton_impl.hpp (added) * src/World.cpp (modified) * src/World.hpp (modified) * src/WorldIterators.cpp (modified) * src/atom.cpp (modified) * src/atom_atominfo.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/AtomDescriptorTest.cpp (modified) * src/unittests/MoleculeDescriptorTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/atomsCalculationTest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) Added generic singleton Pattern that can be inherited to any class ... Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger [b54ac8] * src/Actions/AtomsCalculation.hpp (added) * src/Actions/AtomsCalculation_impl.hpp (added) * src/Actions/Calculation.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/World.hpp (modified) * src/World_calculations.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/atomsCalculationTest.cpp (added) * src/unittests/atomsCalculationTest.hpp (added) * src/unittests/manipulateAtomsTest.cpp (modified) Added templates that allow arbitrary calculations on atoms to be ...