# # ChangeLog for src/molecule.hpp # # Generated by Trac 1.4.4 # Jan 17, 2025, 9:47:53 PM Fri, 09 Oct 2009 10:54:52 GMT Frederik Heber [f66195] * src/ActOnAllUnitTest.cpp (modified) * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/bond.cpp (modified) * src/bond.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/config.hpp (modified) * src/datacreator.cpp (modified) * src/datacreator.hpp (modified) * src/element.hpp (modified) * src/ellipsoid.cpp (modified) * src/ellipsoid.hpp (modified) * src/graph.cpp (modified) * src/graph.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.cpp (modified) * src/leastsquaremin.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/lists.hpp (added) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/tesselationunittest.hpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * src/verbose.hpp (modified) forward declarations used to untangle interdependet classes. - ... Wed, 07 Oct 2009 13:11:28 GMT Frederik Heber [fcd7b6] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_geometry.cpp (modified) In molecule::OutputTrajectories() ActOnAllAtoms() with new function ... Tue, 06 Oct 2009 17:57:01 GMT Frederik Heber [e9f8f9] * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_template.hpp (added) More functions of molecule now use templated iterators. - the ... Mon, 05 Oct 2009 22:10:53 GMT Frederik Heber [cee0b57] * src/Makefile.am (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.hpp (modified) * src/graph.hpp (modified) * src/linkedcell.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (added) * src/molecule_fragmentation.cpp (added) * src/molecule_geometry.cpp (added) * src/molecule_graph.cpp (added) * src/molecule_pointcloud.cpp (added) * src/moleculelist.cpp (modified) * src/verbose.cpp (modified) class molecule implementation split up into six separate parts. - ... Mon, 05 Oct 2009 22:08:57 GMT Frederik Heber [e65246] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/molecule.cpp (moved) * src/molecule.hpp (moved) New function atom::CorrectFactor() and atom::EqualsFather(). - are ...