source: molecuilder/src/atom.hpp

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Diff Rev Age Author Log Message
(edit) @5dba7a   15 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
(edit) @f058ef   15 years Till Crueger Added methods to query Molecules by ID
(edit) @3746aeb   15 years Till Crueger Added mechanisms that allow reuse of IDs and changing Ids of Atoms
(edit) @7bfc19   15 years Till Crueger Made the world solely responsible for creating and destroying atoms.
(edit) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @94d0ad   16 years FrederikHeber Begun with ticket #38 (make const what is const). - basically all …
(edit) @2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
(edit) @6b937bd   16 years FrederikHeber Huge Refactoring: class atom split up into several inherited classes. …
(edit) @f444ce   16 years FrederikHeber Shifted molecuke::InitComponentNumbers() to atom::InitComponentNr. …
(edit) @872b51   16 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
(edit) @ff9879   16 years FrederikHeber First half of molecule_fragmentation.cpp refactoring. - new template …
(edit) @7c2f6b   16 years FrederikHeber Complete refactoring of molecule_dynamics.cpp - new small functions: …
(edit) @104cf4   16 years FrederikHeber First half of molecule_dynamics.cpp is refactored into smaller parts. …
(edit) @3efb4a   16 years FrederikHeber Implementing templated iterators done for molecule.cpp - new …
(edit) @17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
(edit) @70b7aa   16 years FrederikHeber used forward declaration to untangle atom and bond declarations, …
(edit) @0cd3b2   16 years FrederikHeber in molecule::OutputTrajectoriesXYZ() ActOnAllAtoms used by new …
(edit) @567b7f   16 years FrederikHeber In molecule::OutputTrajectories() ActOnAllAtoms() with new function …
(edit) @8ffe32   16 years FrederikHeber More functions of molecule now use templated iterators. - the …
(edit) @dcbdf2   16 years FrederikHeber New function atom::CorrectFactor() and atom::EqualsFather(). - are …
(edit) @e0521b   16 years FrederikHeber new stream operator with just one parameter and virtual destructor
(edit) @f4a346   16 years FrederikHeber Merge branch 'TesselationRefactoring' into ConcaveHull Conflicts: …
(edit) @4dca8e   16 years FrederikHeber definitions for class element and verbose moved to their own header …
(add) @834ff3   16 years FrederikHeber Huge refactoring of Tesselation routines, but not finished yet. - new …
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